N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C21H20F3N7O2 — CID 154654414

IUPACN-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H20F3N7O2/c22-21(23,24)16-6-4-13(10-25-16)19(32)29-15-12-27-30-18(15)20(33)28-14-5-7-17(26-11-14)31-8-2-1-3-9-31/h4-7,10-12H,1-3,8-9H2,(H,27,30)(H,28,33)(H,29,32)
InChIKeyCYIQMCUFPKKODM-UHFFFAOYSA-N
MW459.43 g/mol
LogP3.71
Rot. Bonds5

About N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 154654414) has the molecular formula C21H20F3N7O2 and a molecular weight of 459.43 g/mol. Its IUPAC name is N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID154654414
Molecular FormulaC21H20F3N7O2
Molecular Weight459.43 g/mol
Exact Mass459.16
IUPAC NameN-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H20F3N7O2/c22-21(23,24)16-6-4-13(10-25-16)19(32)29-15-12-27-30-18(15)20(33)28-14-5-7-17(26-11-14)31-8-2-1-3-9-31/h4-7,10-12H,1-3,8-9H2,(H,27,30)(H,28,33)(H,29,32)
InChIKeyCYIQMCUFPKKODM-UHFFFAOYSA-N
XLogP3.71
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
CID 155010035
6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
CID 155010030
N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654515
N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154654222
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654345
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
6-piperidin-1-yl-N-[1-[4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
CID 155010127
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171812
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38117199
6-(cyclopropylamino)-N-(6-piperidin-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 56799221

Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 154654414) is N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CYIQMCUFPKKODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O2/c22-21(23,24)16-6-4-13(10-25-16)19(32)29-15-12-27-30-18(15)20(33)28-14-5-7-17(26-11-14)31-8-2-1-3-9-31/h4-7,10-12H,1-3,8-9H2,(H,27,30)(H,28,33)(H,29,32).
What are the key properties of N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 459.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 154654414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).