1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide

C23H22F3N7O2 — CID 171705707

IUPAC1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide
SMILESCn1cc(C(=O)Nc2cc(C3CCCCN3C(=O)c3nccc4[nH]ccc34)[nH]n2)c(C(F)(F)F)c1
InChIInChI=1S/C23H22F3N7O2/c1-32-11-14(15(12-32)23(24,25)26)21(34)29-19-10-17(30-31-19)18-4-2-3-9-33(18)22(35)20-13-5-7-27-16(13)6-8-28-20/h5-8,10-12,18,27H,2-4,9H2,1H3,(H2,29,30,31,34)
InChIKeyWHDRWIQWJOIQCU-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.26
Rot. Bonds4

About 1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide

1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide (PubChem CID 171705707) has the molecular formula C23H22F3N7O2 and a molecular weight of 485.47 g/mol. Its IUPAC name is 1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide
PubChem CID171705707
Molecular FormulaC23H22F3N7O2
Molecular Weight485.47 g/mol
Exact Mass485.18
IUPAC Name1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide
SMILESCn1cc(C(=O)Nc2cc(C3CCCCN3C(=O)c3nccc4[nH]ccc34)[nH]n2)c(C(F)(F)F)c1
InChIInChI=1S/C23H22F3N7O2/c1-32-11-14(15(12-32)23(24,25)26)21(34)29-19-10-17(30-31-19)18-4-2-3-9-33(18)22(35)20-13-5-7-27-16(13)6-8-28-20/h5-8,10-12,18,27H,2-4,9H2,1H3,(H2,29,30,31,34)
InChIKeyWHDRWIQWJOIQCU-UHFFFAOYSA-N
XLogP4.26
TPSA111.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 171684446
6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide
CID 171699059
1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 171681141
5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676203
tert-butyl (2S)-2-[3-[(4,6-difluoro-1H-indole-2-carbonyl)amino]-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 168868203
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 171706065
1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 73439316
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
CID 171706114
(E)-N-[5-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 171698858
[(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanone
CID 97349266
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015
cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95838089

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide (CID 171705707) is 1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide is Cn1cc(C(=O)Nc2cc(C3CCCCN3C(=O)c3nccc4[nH]ccc34)[nH]n2)c(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide?
The InChIKey is WHDRWIQWJOIQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O2/c1-32-11-14(15(12-32)23(24,25)26)21(34)29-19-10-17(30-31-19)18-4-2-3-9-33(18)22(35)20-13-5-7-27-16(13)6-8-28-20/h5-8,10-12,18,27H,2-4,9H2,1H3,(H2,29,30,31,34).
What are the key properties of 1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide?
1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide has a molecular weight of 485.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 171705707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).