N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide

C24H24F3N7O — CID 155356754

IUPACN-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide
SMILESO=C(NCCC(c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1)C(F)(F)F)C1CCCC1
InChIInChI=1S/C24H24F3N7O/c25-24(26,27)19(8-10-29-23(35)15-3-1-2-4-15)16-5-6-20(30-11-16)34-13-17(12-33-34)18-7-9-28-22-21(18)31-14-32-22/h5-7,9,11-15,19H,1-4,8,10H2,(H,29,35)(H,28,31,32)
InChIKeySQBOBWRMFICADL-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.55
Rot. Bonds7

About N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide

N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide (PubChem CID 155356754) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide
PubChem CID155356754
Molecular FormulaC24H24F3N7O
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC NameN-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide
SMILESO=C(NCCC(c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1)C(F)(F)F)C1CCCC1
InChIInChI=1S/C24H24F3N7O/c25-24(26,27)19(8-10-29-23(35)15-3-1-2-4-15)16-5-6-20(30-11-16)34-13-17(12-33-34)18-7-9-28-22-21(18)31-14-32-22/h5-7,9,11-15,19H,1-4,8,10H2,(H,29,35)(H,28,31,32)
InChIKeySQBOBWRMFICADL-UHFFFAOYSA-N
XLogP4.55
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide with MolForge

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Related Compounds

2-cyano-N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]acetamide
CID 155356537
2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 155356698
4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide
CID 175708488
1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol
CID 155356391
2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol
CID 155356254
(1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol
CID 155356251
1-[3-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-4,4,4-trifluorobutyl]-3-cyclopropylurea;1-[3-(6-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]-3-cyclopropylurea;3-nitro-4-(1H-pyrazol-4-yl)pyridin-2-amine
CID 167664797
2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile
CID 167578782
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
CID 175708460
N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 146555271
(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 145307264

Frequently Asked Questions

What is the IUPAC name of N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide?
The IUPAC name of N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide (CID 155356754) is N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide is O=C(NCCC(c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1)C(F)(F)F)C1CCCC1.
What is the InChIKey of N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide?
The InChIKey is SQBOBWRMFICADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c25-24(26,27)19(8-10-29-23(35)15-3-1-2-4-15)16-5-6-20(30-11-16)34-13-17(12-33-34)18-7-9-28-22-21(18)31-14-32-22/h5-7,9,11-15,19H,1-4,8,10H2,(H,29,35)(H,28,31,32).
What are the key properties of N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide?
N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide has a molecular weight of 483.50 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide is sourced from PubChem (CID 155356754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).