5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

C19H22F3N7O — CID 155786248

IUPAC5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(NC1CCC(CNCC(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C19H22F3N7O/c20-19(21,22)10-24-8-12-1-3-14(4-2-12)26-18(30)17-16-13(9-25-28-16)7-15(27-17)29-6-5-23-11-29/h5-7,9,11-12,14,24H,1-4,8,10H2,(H,25,28)(H,26,30)
InChIKeyZYJMQQCRIWHRQU-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.58
Rot. Bonds6

About 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 155786248) has the molecular formula C19H22F3N7O and a molecular weight of 421.43 g/mol. Its IUPAC name is 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID155786248
Molecular FormulaC19H22F3N7O
Molecular Weight421.43 g/mol
Exact Mass421.18
IUPAC Name5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(NC1CCC(CNCC(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C19H22F3N7O/c20-19(21,22)10-24-8-12-1-3-14(4-2-12)26-18(30)17-16-13(9-25-28-16)7-15(27-17)29-6-5-23-11-29/h5-7,9,11-12,14,24H,1-4,8,10H2,(H,25,28)(H,26,30)
InChIKeyZYJMQQCRIWHRQU-UHFFFAOYSA-N
XLogP2.58
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646
methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate
CID 155786434
2-imidazol-1-yl-N-[4-(3,3,3-trifluoropropyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158260547
2-imidazol-1-yl-N-[4-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-2-oxobutyl]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-imidazol-1-yl-N-[4-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-2-oxobutyl]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158490945
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976
7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide
CID 172628369
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
2-imidazol-1-yl-N-[4-(2-methoxypropan-2-yl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786376
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481322
N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
CID 166480997
3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide
CID 171474975

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (CID 155786248) is 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is O=C(NC1CCC(CNCC(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12.
What is the InChIKey of 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is ZYJMQQCRIWHRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O/c20-19(21,22)10-24-8-12-1-3-14(4-2-12)26-18(30)17-16-13(9-25-28-16)7-15(27-17)29-6-5-23-11-29/h5-7,9,11-12,14,24H,1-4,8,10H2,(H,25,28)(H,26,30).
What are the key properties of 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 155786248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).