N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

C91H99F3N32O9 — CID 157184933

IUPACN-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(NC(=O)c3ccccc3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3CCCC4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCCCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4nccnc34)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C20H24N6O.C19H22N6O3.C18H18N8O.C17H17F3N6O2.C17H18N6O2/c1-3-19(27)24-16-12-22-26-18(21-2)11-17(25-20(16)26)23-15-10-6-8-13-7-4-5-9-14(13)15;1-3-17(26)23-13-11-21-25-16(20-2)10-15(24-19(13)25)22-12-6-4-7-14-18(12)28-9-5-8-27-14;1-3-16(27)24-13-10-22-26-15(19-2)9-14(25-18(13)26)23-12-6-4-5-11-17(12)21-8-7-20-11;1-3-15(27)24-11-9-22-26-14(21-2)8-13(25-16(11)26)23-10-6-4-5-7-12(10)28-17(18,19)20;1-3-15(24)20-12-10-19-23-14(18-2)9-13(21-16(12)23)22-17(25)11-7-5-4-6-8-11/h6,8,10-12,21H,3-5,7,9H2,1-2H3,(H,23,25)(H,24,27);4,6-7,10-11,20H,3,5,8-9H2,1-2H3,(H,22,24)(H,23,26);4-10,19H,3H2,1-2H3,(H,23,25)(H,24,27);4-9,21H,3H2,1-2H3,(H,23,25)(H,24,27);4-10,18H,3H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyAOZXENOQBANUBZ-UHFFFAOYSA-N
MW1842.00 g/mol
LogP15.71
Rot. Bonds26

About N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (PubChem CID 157184933) has the molecular formula C91H99F3N32O9 and a molecular weight of 1842.00 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
PubChem CID157184933
Molecular FormulaC91H99F3N32O9
Molecular Weight1842.00 g/mol
Exact Mass1840.82
IUPAC NameN-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(NC(=O)c3ccccc3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3CCCC4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCCCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4nccnc34)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C20H24N6O.C19H22N6O3.C18H18N8O.C17H17F3N6O2.C17H18N6O2/c1-3-19(27)24-16-12-22-26-18(21-2)11-17(25-20(16)26)23-15-10-6-8-13-7-4-5-9-14(13)15;1-3-17(26)23-13-11-21-25-16(20-2)10-15(24-19(13)25)22-12-6-4-7-14-18(12)28-9-5-8-27-14;1-3-16(27)24-13-10-22-26-15(19-2)9-14(25-18(13)26)23-12-6-4-5-11-17(12)21-8-7-20-11;1-3-15(27)24-11-9-22-26-14(21-2)8-13(25-16(11)26)23-10-6-4-5-7-12(10)28-17(18,19)20;1-3-15(24)20-12-10-19-23-14(18-2)9-13(21-16(12)23)22-17(25)11-7-5-4-6-8-11/h6,8,10-12,21H,3-5,7,9H2,1-2H3,(H,23,25)(H,24,27);4,6-7,10-11,20H,3,5,8-9H2,1-2H3,(H,22,24)(H,23,26);4-10,19H,3H2,1-2H3,(H,23,25)(H,24,27);4-9,21H,3H2,1-2H3,(H,23,25)(H,24,27);4-10,18H,3H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyAOZXENOQBANUBZ-UHFFFAOYSA-N
XLogP15.71
TPSA487.29 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001842.00
LogP ≤ 515.71
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide with MolForge

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Related Compounds

N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide
CID 158186786
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 158469132
2-methyl-N-[9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]pyridine-4-carboxamide;tetrakis(3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-2,3,7,8-tetrahydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide);N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-2,3,7,8-tetrahydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 159188127
2-methyl-N-[9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]pyridine-4-carboxamide;tetrakis(3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide);N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 159303763
N-(3-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3,4-dihydro-1H-isoquinolin-2-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;3-(furan-3-yl)-N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-naphthalen-1-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 159486363
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 159904961
N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-(dimethylamino)hexyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(dimethylamino)pentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-naphthalen-1-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-(4-pyrrolidin-1-ylbutyl)benzamide
CID 161134894
CID 161644931
CID 161644931
CID 161976274
CID 161976274
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;N-cyclopropyl-7-(methylamino)-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-hydroxy-2-methylbutyl)-7-(methylamino)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 165107816
N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;tetrakis(3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide);N-[9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-oxo-1H-pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168386547
N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide
CID 157084478

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The IUPAC name of N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (CID 157184933) is N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is CCC(=O)Nc1cnn2c(NC)cc(NC(=O)c3ccccc3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3CCCC4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCCCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4nccnc34)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3OC(F)(F)F)nc12.
What is the InChIKey of N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The InChIKey is AOZXENOQBANUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O.C19H22N6O3.C18H18N8O.C17H17F3N6O2.C17H18N6O2/c1-3-19(27)24-16-12-22-26-18(21-2)11-17(25-20(16)26)23-15-10-6-8-13-7-4-5-9-14(13)15;1-3-17(26)23-13-11-21-25-16(20-2)10-15(24-19(13)25)22-12-6-4-7-14-18(12)28-9-5-8-27-14;1-3-16(27)24-13-10-22-26-15(19-2)9-14(25-18(13)26)23-12-6-4-5-11-17(12)21-8-7-20-11;1-3-15(27)24-11-9-22-26-14(21-2)8-13(25-16(11)26)23-10-6-4-5-7-12(10)28-17(18,19)20;1-3-15(24)20-12-10-19-23-14(18-2)9-13(21-16(12)23)22-17(25)11-7-5-4-6-8-11/h6,8,10-12,21H,3-5,7,9H2,1-2H3,(H,23,25)(H,24,27);4,6-7,10-11,20H,3,5,8-9H2,1-2H3,(H,22,24)(H,23,26);4-10,19H,3H2,1-2H3,(H,23,25)(H,24,27);4-9,21H,3H2,1-2H3,(H,23,25)(H,24,27);4-10,18H,3H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide has a molecular weight of 1842.00 g/mol, XLogP of 15.71, 26 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 157184933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).