5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C135H165ClF2N48O16 — CID 165098538

IUPAC5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC/N=C(\C=CN)Nc1cc(NC)n2ncc(C(=O)NC3CC3)c2n1.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3c(Cl)ccc4c3OCO4)nc12.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OC(F)(F)O4)nc12.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OCO4)nc12.CCNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OCCO4)nc12.CNc1cc(Nc2cccc(N3CCN(C)CC3)c2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cnn(CCOC)c2)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C22H28N8O.C21H25ClN6O3.C21H24F2N6O3.C21H26N6O3.C18H20N6O3.C17H22N8O2.C15H20N8O/c1-23-20-13-19(27-21-18(14-24-30(20)21)22(31)26-15-6-7-15)25-16-4-3-5-17(12-16)29-10-8-28(2)9-11-29;1-5-21(2,3)10-24-20(29)12-9-25-28-16(23-4)8-15(27-19(12)28)26-17-13(22)6-7-14-18(17)31-11-30-14;1-5-20(2,3)11-25-19(30)12-10-26-29-16(24-4)9-15(28-18(12)29)27-13-7-6-8-14-17(13)32-21(22,23)31-14;1-5-21(2,3)11-23-20(28)13-10-24-27-17(22-4)9-16(26-19(13)27)25-14-7-6-8-15-18(14)30-12-29-15;1-3-20-18(25)11-10-21-24-15(19-2)9-14(23-17(11)24)22-12-5-4-6-13-16(12)27-8-7-26-13;1-18-15-7-14(21-12-8-19-24(10-12)5-6-27-2)23-16-13(9-20-25(15)16)17(26)22-11-3-4-11;1-17-11(5-6-16)21-12-7-13(18-2)23-14(22-12)10(8-19-23)15(24)20-9-3-4-9/h3-5,12-15,23H,6-11H2,1-2H3,(H,25,27)(H,26,31);6-9,23H,5,10-11H2,1-4H3,(H,24,29)(H,26,27);6-10,24H,5,11H2,1-4H3,(H,25,30)(H,27,28);6-10,22H,5,11-12H2,1-4H3,(H,23,28)(H,25,26);4-6,9-10,19H,3,7-8H2,1-2H3,(H,20,25)(H,22,23);7-11,18H,3-6H2,1-2H3,(H,21,23)(H,22,26);5-9,18H,3-4,16H2,1-2H3,(H,20,24)(H,17,21,22)
InChIKeyURTPJTMMTXQCCP-UHFFFAOYSA-N
MW2789.57 g/mol
LogP17.49
Rot. Bonds45

About 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 165098538) has the molecular formula C135H165ClF2N48O16 and a molecular weight of 2789.57 g/mol. Its IUPAC name is 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID165098538
Molecular FormulaC135H165ClF2N48O16
Molecular Weight2789.57 g/mol
Exact Mass2787.32
IUPAC Name5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC/N=C(\C=CN)Nc1cc(NC)n2ncc(C(=O)NC3CC3)c2n1.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3c(Cl)ccc4c3OCO4)nc12.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OC(F)(F)O4)nc12.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OCO4)nc12.CCNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OCCO4)nc12.CNc1cc(Nc2cccc(N3CCN(C)CC3)c2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cnn(CCOC)c2)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C22H28N8O.C21H25ClN6O3.C21H24F2N6O3.C21H26N6O3.C18H20N6O3.C17H22N8O2.C15H20N8O/c1-23-20-13-19(27-21-18(14-24-30(20)21)22(31)26-15-6-7-15)25-16-4-3-5-17(12-16)29-10-8-28(2)9-11-29;1-5-21(2,3)10-24-20(29)12-9-25-28-16(23-4)8-15(27-19(12)28)26-17-13(22)6-7-14-18(17)31-11-30-14;1-5-20(2,3)11-25-19(30)12-10-26-29-16(24-4)9-15(28-18(12)29)27-13-7-6-8-14-17(13)32-21(22,23)31-14;1-5-21(2,3)11-23-20(28)13-10-24-27-17(22-4)9-16(26-19(13)27)25-14-7-6-8-15-18(14)30-12-29-15;1-3-20-18(25)11-10-21-24-15(19-2)9-14(23-17(11)24)22-12-5-4-6-13-16(12)27-8-7-26-13;1-18-15-7-14(21-12-8-19-24(10-12)5-6-27-2)23-16-13(9-20-25(15)16)17(26)22-11-3-4-11;1-17-11(5-6-16)21-12-7-13(18-2)23-14(22-12)10(8-19-23)15(24)20-9-3-4-9/h3-5,12-15,23H,6-11H2,1-2H3,(H,25,27)(H,26,31);6-9,23H,5,10-11H2,1-4H3,(H,24,29)(H,26,27);6-10,24H,5,11H2,1-4H3,(H,25,30)(H,27,28);6-10,22H,5,11-12H2,1-4H3,(H,23,28)(H,25,26);4-6,9-10,19H,3,7-8H2,1-2H3,(H,20,25)(H,22,23);7-11,18H,3-6H2,1-2H3,(H,21,23)(H,22,26);5-9,18H,3-4,16H2,1-2H3,(H,20,24)(H,17,21,22)
InChIKeyURTPJTMMTXQCCP-UHFFFAOYSA-N
XLogP17.49
TPSA729.20 Ų
H-Bond Donors22
H-Bond Acceptors56
Rotatable Bonds45
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002789.57
LogP ≤ 517.49
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 165098538) is 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is C/N=C(\C=CN)Nc1cc(NC)n2ncc(C(=O)NC3CC3)c2n1.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3c(Cl)ccc4c3OCO4)nc12.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OC(F)(F)O4)nc12.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OCO4)nc12.CCNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OCCO4)nc12.CNc1cc(Nc2cccc(N3CCN(C)CC3)c2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cnn(CCOC)c2)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is URTPJTMMTXQCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O.C21H25ClN6O3.C21H24F2N6O3.C21H26N6O3.C18H20N6O3.C17H22N8O2.C15H20N8O/c1-23-20-13-19(27-21-18(14-24-30(20)21)22(31)26-15-6-7-15)25-16-4-3-5-17(12-16)29-10-8-28(2)9-11-29;1-5-21(2,3)10-24-20(29)12-9-25-28-16(23-4)8-15(27-19(12)28)26-17-13(22)6-7-14-18(17)31-11-30-14;1-5-20(2,3)11-25-19(30)12-10-26-29-16(24-4)9-15(28-18(12)29)27-13-7-6-8-14-17(13)32-21(22,23)31-14;1-5-21(2,3)11-23-20(28)13-10-24-27-17(22-4)9-16(26-19(13)27)25-14-7-6-8-15-18(14)30-12-29-15;1-3-20-18(25)11-10-21-24-15(19-2)9-14(23-17(11)24)22-12-5-4-6-13-16(12)27-8-7-26-13;1-18-15-7-14(21-12-8-19-24(10-12)5-6-27-2)23-16-13(9-20-25(15)16)17(26)22-11-3-4-11;1-17-11(5-6-16)21-12-7-13(18-2)23-14(22-12)10(8-19-23)15(24)20-9-3-4-9/h3-5,12-15,23H,6-11H2,1-2H3,(H,25,27)(H,26,31);6-9,23H,5,10-11H2,1-4H3,(H,24,29)(H,26,27);6-10,24H,5,11H2,1-4H3,(H,25,30)(H,27,28);6-10,22H,5,11-12H2,1-4H3,(H,23,28)(H,25,26);4-6,9-10,19H,3,7-8H2,1-2H3,(H,20,25)(H,22,23);7-11,18H,3-6H2,1-2H3,(H,21,23)(H,22,26);5-9,18H,3-4,16H2,1-2H3,(H,20,24)(H,17,21,22).
What are the key properties of 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2789.57 g/mol, XLogP of 17.49, 45 rotatable bonds, 22 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(5-chloro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-ethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165098538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).