5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

C40H46F6N12O2 — CID 157085151

IUPAC5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(NC1CCC(CCCC(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12.O=C(NC1CCC(CCCC(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/2C20H23F3N6O/c2*21-20(22,23)7-1-2-13-3-5-15(6-4-13)26-19(30)18-17-14(11-25-28-17)10-16(27-18)29-9-8-24-12-29/h2*8-13,15H,1-7H2,(H,25,28)(H,26,30)
InChIKeyADZRFPOHJCPMEK-UHFFFAOYSA-N
MW840.88 g/mol
LogP8.33
Rot. Bonds12

About 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 157085151) has the molecular formula C40H46F6N12O2 and a molecular weight of 840.88 g/mol. Its IUPAC name is 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID157085151
Molecular FormulaC40H46F6N12O2
Molecular Weight840.88 g/mol
Exact Mass840.38
IUPAC Name5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(NC1CCC(CCCC(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12.O=C(NC1CCC(CCCC(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/2C20H23F3N6O/c2*21-20(22,23)7-1-2-13-3-5-15(6-4-13)26-19(30)18-17-14(11-25-28-17)10-16(27-18)29-9-8-24-12-29/h2*8-13,15H,1-7H2,(H,25,28)(H,26,30)
InChIKeyADZRFPOHJCPMEK-UHFFFAOYSA-N
XLogP8.33
TPSA176.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.88
LogP ≤ 58.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fn-1501
CID 72195175
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 25101485
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-phenylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024300
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(4-fluorophenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024301
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024498
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
1-(4-benzoylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729274
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-pyridin-2-ylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729307
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 25101638
4-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469439
1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67387865

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (CID 157085151) is 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is O=C(NC1CCC(CCCC(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12.O=C(NC1CCC(CCCC(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12.
What is the InChIKey of 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is ADZRFPOHJCPMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H23F3N6O/c2*21-20(22,23)7-1-2-13-3-5-15(6-4-13)26-19(30)18-17-14(11-25-28-17)10-16(27-18)29-9-8-24-12-29/h2*8-13,15H,1-7H2,(H,25,28)(H,26,30).
What are the key properties of 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 840.88 g/mol, XLogP of 8.33, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-N-[4-(4,4,4-trifluorobutyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 157085151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).