4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide

C72H80F2N32O4 — CID 167634749

IUPAC4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide
SMILESCC(N)=C/C(=N\CC(C)(F)F)c1cn(C)c(-c2nc(C(N)=O)cc3c2cnn3C)n1.CCCn1nccc1-c1cn(C)c(-c2nc(C(N)=O)cc3c2cnn3C)n1.CCc1nn(C)cc1-c1cn(C)c(-c2nc(C(N)=O)cc3c2cnn3C)n1.Cc1cc(-c2cn(C)c(-c3nc(C(N)=O)cc4c3cnn4C)n2)n(C)n1
InChIInChI=1S/C19H22F2N8O.2C18H20N8O.C17H18N8O/c1-10(22)5-12(24-9-19(2,20)21)14-8-28(3)18(27-14)16-11-7-25-29(4)15(11)6-13(26-16)17(23)30;1-5-12-11(8-25(3)23-12)14-9-24(2)18(22-14)16-10-7-20-26(4)15(10)6-13(21-16)17(19)27;1-4-7-26-14(5-6-20-26)13-10-24(2)18(23-13)16-11-9-21-25(3)15(11)8-12(22-16)17(19)27;1-9-5-14(25(4)22-9)12-8-23(2)17(21-12)15-10-7-19-24(3)13(10)6-11(20-15)16(18)26/h5-8H,9,22H2,1-4H3,(H2,23,30);6-9H,5H2,1-4H3,(H2,19,27);5-6,8-10H,4,7H2,1-3H3,(H2,19,27);5-8H,1-4H3,(H2,18,26)/b10-5?,24-12+;;;
InChIKeyIORPAPPIXURXCX-RZRRDYMZSA-N
MW1495.65 g/mol
LogP6.12
Rot. Bonds18

About 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide

4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide (PubChem CID 167634749) has the molecular formula C72H80F2N32O4 and a molecular weight of 1495.65 g/mol. Its IUPAC name is 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide
PubChem CID167634749
Molecular FormulaC72H80F2N32O4
Molecular Weight1495.65 g/mol
Exact Mass1494.70
IUPAC Name4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide
SMILESCC(N)=C/C(=N\CC(C)(F)F)c1cn(C)c(-c2nc(C(N)=O)cc3c2cnn3C)n1.CCCn1nccc1-c1cn(C)c(-c2nc(C(N)=O)cc3c2cnn3C)n1.CCc1nn(C)cc1-c1cn(C)c(-c2nc(C(N)=O)cc3c2cnn3C)n1.Cc1cc(-c2cn(C)c(-c3nc(C(N)=O)cc4c3cnn4C)n2)n(C)n1
InChIInChI=1S/C19H22F2N8O.2C18H20N8O.C17H18N8O/c1-10(22)5-12(24-9-19(2,20)21)14-8-28(3)18(27-14)16-11-7-25-29(4)15(11)6-13(26-16)17(23)30;1-5-12-11(8-25(3)23-12)14-9-24(2)18(22-14)16-10-7-20-26(4)15(10)6-13(21-16)17(19)27;1-4-7-26-14(5-6-20-26)13-10-24(2)18(23-13)16-11-9-21-25(3)15(11)8-12(22-16)17(19)27;1-9-5-14(25(4)22-9)12-8-23(2)17(21-12)15-10-7-19-24(3)13(10)6-11(20-15)16(18)26/h5-8H,9,22H2,1-4H3,(H2,23,30);6-9H,5H2,1-4H3,(H2,19,27);5-6,8-10H,4,7H2,1-3H3,(H2,19,27);5-8H,1-4H3,(H2,18,26)/b10-5?,24-12+;;;
InChIKeyIORPAPPIXURXCX-RZRRDYMZSA-N
XLogP6.12
TPSA458.32 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001495.65
LogP ≤ 56.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide with MolForge

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Related Compounds

7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 162672157
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079804
N-[6-[5-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
CID 90241183
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(1-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538666
N-(6-(1-(1-((1H-pyrazol-5-yl)methyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118539006
[4-[[6-(1-Benzylpyrazol-4-yl)-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 66560844
[4-[[7-Cyclopentyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 70683641
[4-[[7-Cyclopentyl-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 70685779
[4-[[7-Cyclopentyl-6-(1,5-dimethylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 70689941
(13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 53242190
USRE48711, Example 257
CID 58102964

Frequently Asked Questions

What is the IUPAC name of 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide?
The IUPAC name of 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide (CID 167634749) is 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide?
The canonical SMILES for 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide is CC(N)=C/C(=N\CC(C)(F)F)c1cn(C)c(-c2nc(C(N)=O)cc3c2cnn3C)n1.CCCn1nccc1-c1cn(C)c(-c2nc(C(N)=O)cc3c2cnn3C)n1.CCc1nn(C)cc1-c1cn(C)c(-c2nc(C(N)=O)cc3c2cnn3C)n1.Cc1cc(-c2cn(C)c(-c3nc(C(N)=O)cc4c3cnn4C)n2)n(C)n1.
What is the InChIKey of 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide?
The InChIKey is IORPAPPIXURXCX-RZRRDYMZSA-N. The full InChI is InChI=1S/C19H22F2N8O.2C18H20N8O.C17H18N8O/c1-10(22)5-12(24-9-19(2,20)21)14-8-28(3)18(27-14)16-11-7-25-29(4)15(11)6-13(26-16)17(23)30;1-5-12-11(8-25(3)23-12)14-9-24(2)18(22-14)16-10-7-20-26(4)15(10)6-13(21-16)17(19)27;1-4-7-26-14(5-6-20-26)13-10-24(2)18(23-13)16-11-9-21-25(3)15(11)8-12(22-16)17(19)27;1-9-5-14(25(4)22-9)12-8-23(2)17(21-12)15-10-7-19-24(3)13(10)6-11(20-15)16(18)26/h5-8H,9,22H2,1-4H3,(H2,23,30);6-9H,5H2,1-4H3,(H2,19,27);5-6,8-10H,4,7H2,1-3H3,(H2,19,27);5-8H,1-4H3,(H2,18,26)/b10-5?,24-12+;;;.
What are the key properties of 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide?
4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide has a molecular weight of 1495.65 g/mol, XLogP of 6.12, 18 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[C-(2-aminoprop-1-enyl)-N-(2,2-difluoropropyl)carbonimidoyl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;4-[4-(3-ethyl-1-methylpyrazol-4-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;1-methyl-4-[1-methyl-4-(2-propylpyrazol-3-yl)imidazol-2-yl]pyrazolo[4,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 167634749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).