N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C138H158F3N51O22 — CID 165051494

IUPACN-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ccc(OC)nn4)c3=O)nc12.CCNC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ccc(OC)nn4)c3=O)nc12.CCn1ccc(Nc2cc(NC)n3ncc(C(=O)NC4CC4)c3n2)n1.CNc1cc(Nc2cc(C(F)(F)F)cnc2OC)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NC3CCOC3)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NCC(C)(C)O)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NCC(C)(O)CO)cnn12
InChIInChI=1S/C24H29N9O3.C20H21N9O3.C20H24N6O5.C20H22N6O4.C20H24N6O4.C18H18F3N7O2.C16H20N8O/c1-6-24(2,3)14-26-22(34)15-13-27-33-19(25-4)12-17(29-21(15)33)28-16-8-7-11-32(23(16)35)18-9-10-20(36-5)31-30-18;1-4-22-19(30)12-11-23-29-16(21-2)10-14(25-18(12)29)24-13-6-5-9-28(20(13)31)15-7-8-17(32-3)27-26-15;1-20(29,11-27)10-22-19(28)12-9-23-26-16(21-2)8-15(25-18(12)26)24-13-4-3-5-14-17(13)31-7-6-30-14;1-21-17-9-16(24-14-3-2-4-15-18(14)30-8-7-29-15)25-19-13(10-22-26(17)19)20(27)23-12-5-6-28-11-12;1-20(2,28)11-22-19(27)12-10-23-26-16(21-3)9-15(25-18(12)26)24-13-5-4-6-14-17(13)30-8-7-29-14;1-22-14-6-13(26-12-5-9(18(19,20)21)7-23-17(12)30-2)27-15-11(8-24-28(14)15)16(29)25-10-3-4-10;1-3-23-7-6-12(22-23)20-13-8-14(17-2)24-15(21-13)11(9-18-24)16(25)19-10-4-5-10/h7-13,25H,6,14H2,1-5H3,(H,26,34)(H,28,29);5-11,21H,4H2,1-3H3,(H,22,30)(H,24,25);3-5,8-9,21,27,29H,6-7,10-11H2,1-2H3,(H,22,28)(H,24,25);2-4,9-10,12,21H,5-8,11H2,1H3,(H,23,27)(H,24,25);4-6,9-10,21,28H,7-8,11H2,1-3H3,(H,22,27)(H,24,25);5-8,10,22H,3-4H2,1-2H3,(H,25,29)(H,26,27);6-10,17H,3-5H2,1-2H3,(H,19,25)(H,20,21,22)
InChIKeyPSRLNDJLWFUMIO-UHFFFAOYSA-N
MW2940.11 g/mol
LogP12.65
Rot. Bonds46

About N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 165051494) has the molecular formula C138H158F3N51O22 and a molecular weight of 2940.11 g/mol. Its IUPAC name is N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID165051494
Molecular FormulaC138H158F3N51O22
Molecular Weight2940.11 g/mol
Exact Mass2938.28
IUPAC NameN-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ccc(OC)nn4)c3=O)nc12.CCNC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ccc(OC)nn4)c3=O)nc12.CCn1ccc(Nc2cc(NC)n3ncc(C(=O)NC4CC4)c3n2)n1.CNc1cc(Nc2cc(C(F)(F)F)cnc2OC)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NC3CCOC3)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NCC(C)(C)O)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NCC(C)(O)CO)cnn12
InChIInChI=1S/C24H29N9O3.C20H21N9O3.C20H24N6O5.C20H22N6O4.C20H24N6O4.C18H18F3N7O2.C16H20N8O/c1-6-24(2,3)14-26-22(34)15-13-27-33-19(25-4)12-17(29-21(15)33)28-16-8-7-11-32(23(16)35)18-9-10-20(36-5)31-30-18;1-4-22-19(30)12-11-23-29-16(21-2)10-14(25-18(12)29)24-13-6-5-9-28(20(13)31)15-7-8-17(32-3)27-26-15;1-20(29,11-27)10-22-19(28)12-9-23-26-16(21-2)8-15(25-18(12)26)24-13-4-3-5-14-17(13)31-7-6-30-14;1-21-17-9-16(24-14-3-2-4-15-18(14)30-8-7-29-15)25-19-13(10-22-26(17)19)20(27)23-12-5-6-28-11-12;1-20(2,28)11-22-19(27)12-10-23-26-16(21-3)9-15(25-18(12)26)24-13-5-4-6-14-17(13)30-8-7-29-14;1-22-14-6-13(26-12-5-9(18(19,20)21)7-23-17(12)30-2)27-15-11(8-24-28(14)15)16(29)25-10-3-4-10;1-3-23-7-6-12(22-23)20-13-8-14(17-2)24-15(21-13)11(9-18-24)16(25)19-10-4-5-10/h7-13,25H,6,14H2,1-5H3,(H,26,34)(H,28,29);5-11,21H,4H2,1-3H3,(H,22,30)(H,24,25);3-5,8-9,21,27,29H,6-7,10-11H2,1-2H3,(H,22,28)(H,24,25);2-4,9-10,12,21H,5-8,11H2,1H3,(H,23,27)(H,24,25);4-6,9-10,21,28H,7-8,11H2,1-3H3,(H,22,27)(H,24,25);5-8,10,22H,3-4H2,1-2H3,(H,25,29)(H,26,27);6-10,17H,3-5H2,1-2H3,(H,19,25)(H,20,21,22)
InChIKeyPSRLNDJLWFUMIO-UHFFFAOYSA-N
XLogP12.65
TPSA862.71 Ų
H-Bond Donors24
H-Bond Acceptors66
Rotatable Bonds46
Heavy Atoms214
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002940.11
LogP ≤ 512.65
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1066

Analyze N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 165051494) is N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ccc(OC)nn4)c3=O)nc12.CCNC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ccc(OC)nn4)c3=O)nc12.CCn1ccc(Nc2cc(NC)n3ncc(C(=O)NC4CC4)c3n2)n1.CNc1cc(Nc2cc(C(F)(F)F)cnc2OC)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NC3CCOC3)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NCC(C)(C)O)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NCC(C)(O)CO)cnn12.
What is the InChIKey of N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PSRLNDJLWFUMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O3.C20H21N9O3.C20H24N6O5.C20H22N6O4.C20H24N6O4.C18H18F3N7O2.C16H20N8O/c1-6-24(2,3)14-26-22(34)15-13-27-33-19(25-4)12-17(29-21(15)33)28-16-8-7-11-32(23(16)35)18-9-10-20(36-5)31-30-18;1-4-22-19(30)12-11-23-29-16(21-2)10-14(25-18(12)29)24-13-6-5-9-28(20(13)31)15-7-8-17(32-3)27-26-15;1-20(29,11-27)10-22-19(28)12-9-23-26-16(21-2)8-15(25-18(12)26)24-13-4-3-5-14-17(13)31-7-6-30-14;1-21-17-9-16(24-14-3-2-4-15-18(14)30-8-7-29-15)25-19-13(10-22-26(17)19)20(27)23-12-5-6-28-11-12;1-20(2,28)11-22-19(27)12-10-23-26-16(21-3)9-15(25-18(12)26)24-13-5-4-6-14-17(13)30-8-7-29-14;1-22-14-6-13(26-12-5-9(18(19,20)21)7-23-17(12)30-2)27-15-11(8-24-28(14)15)16(29)25-10-3-4-10;1-3-23-7-6-12(22-23)20-13-8-14(17-2)24-15(21-13)11(9-18-24)16(25)19-10-4-5-10/h7-13,25H,6,14H2,1-5H3,(H,26,34)(H,28,29);5-11,21H,4H2,1-3H3,(H,22,30)(H,24,25);3-5,8-9,21,27,29H,6-7,10-11H2,1-2H3,(H,22,28)(H,24,25);2-4,9-10,12,21H,5-8,11H2,1H3,(H,23,27)(H,24,25);4-6,9-10,21,28H,7-8,11H2,1-3H3,(H,22,27)(H,24,25);5-8,10,22H,3-4H2,1-2H3,(H,25,29)(H,26,27);6-10,17H,3-5H2,1-2H3,(H,19,25)(H,20,21,22).
What are the key properties of N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2940.11 g/mol, XLogP of 12.65, 46 rotatable bonds, 24 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(1-ethylpyrazol-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-ethyl-5-[[1-(6-methoxypyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165051494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).