1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide

C18H22N6O2 — CID 155786350

IUPAC1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide
SMILESC[C@@H](O)C1CCC(n2ncc3cc(-n4ccnc4)nc(C(N)=O)c32)CC1
InChIInChI=1S/C18H22N6O2/c1-11(25)12-2-4-14(5-3-12)24-17-13(9-21-24)8-15(22-16(17)18(19)26)23-7-6-20-10-23/h6-12,14,25H,2-5H2,1H3,(H2,19,26)/t11-,12?,14?/m1/s1
InChIKeyHFCCPJTXHVLABG-LKSINWNRSA-N
MW354.41 g/mol
LogP1.83
Rot. Bonds4

About 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide

1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 155786350) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID155786350
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide
SMILESC[C@@H](O)C1CCC(n2ncc3cc(-n4ccnc4)nc(C(N)=O)c32)CC1
InChIInChI=1S/C18H22N6O2/c1-11(25)12-2-4-14(5-3-12)24-17-13(9-21-24)8-15(22-16(17)18(19)26)23-7-6-20-10-23/h6-12,14,25H,2-5H2,1H3,(H2,19,26)/t11-,12?,14?/m1/s1
InChIKeyHFCCPJTXHVLABG-LKSINWNRSA-N
XLogP1.83
TPSA111.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide with MolForge

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Related Compounds

5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155786470
3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 175982229
methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate
CID 155786434
N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51085911
4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane
CID 156885791
6-imidazol-1-yl-N-propan-2-ylpyrazine-2-carboxamide
CID 166095150
7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide
CID 172628369
1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 115967439
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976
2-imidazol-1-ylpyrimidine-4-carboxamide
CID 141444759
1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 95820895

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide (CID 155786350) is 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide is C[C@@H](O)C1CCC(n2ncc3cc(-n4ccnc4)nc(C(N)=O)c32)CC1.
What is the InChIKey of 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is HFCCPJTXHVLABG-LKSINWNRSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11(25)12-2-4-14(5-3-12)24-17-13(9-21-24)8-15(22-16(17)18(19)26)23-7-6-20-10-23/h6-12,14,25H,2-5H2,1H3,(H2,19,26)/t11-,12?,14?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide?
1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 155786350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).