N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C30H34F4N6O2 — CID 161441354

IUPACN-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cc(F)c(-c3ccc(N4CCCCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
InChIInChI=1S/C30H34F4N6O2/c1-18-16-40(17-19(2)38(18)3)26-13-24(31)21(20-7-8-27(35-14-20)39-9-5-4-6-10-39)11-25(26)37-29(42)22-15-36-28(41)12-23(22)30(32,33)34/h7-8,11-15,18-19H,4-6,9-10,16-17H2,1-3H3,(H,36,41)(H,37,42)/t18-,19+
InChIKeyVZHTXFUCLIHCSL-KDURUIRLSA-N
MW586.63 g/mol
LogP5.37
Rot. Bonds5

About N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 161441354) has the molecular formula C30H34F4N6O2 and a molecular weight of 586.63 g/mol. Its IUPAC name is N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID161441354
Molecular FormulaC30H34F4N6O2
Molecular Weight586.63 g/mol
Exact Mass586.27
IUPAC NameN-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cc(F)c(-c3ccc(N4CCCCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
InChIInChI=1S/C30H34F4N6O2/c1-18-16-40(17-19(2)38(18)3)26-13-24(31)21(20-7-8-27(35-14-20)39-9-5-4-6-10-39)11-25(26)37-29(42)22-15-36-28(41)12-23(22)30(32,33)34/h7-8,11-15,18-19H,4-6,9-10,16-17H2,1-3H3,(H,36,41)(H,37,42)/t18-,19+
InChIKeyVZHTXFUCLIHCSL-KDURUIRLSA-N
XLogP5.37
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.63
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-(5-(3-Fluoro-4-((2-((4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl)amino)phenyl)pyridin-2-yl)cyclopropanecarboxamide
CID 73438493
N-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138541704
8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one
CID 134817552
1-[4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)-3-pyridinyl]phenyl]urea
CID 145976371
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CID 16662813
(S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methyl-N-((S)-1-phenylethyl)piperazine-1-carboxamide
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(S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methyl-N-((R)-1-phenylethyl)piperazine-1-carboxamide
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N-[4-isopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-methyl-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 161441354) is N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is C[C@@H]1CN(c2cc(F)c(-c3ccc(N4CCCCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C.
What is the InChIKey of N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is VZHTXFUCLIHCSL-KDURUIRLSA-N. The full InChI is InChI=1S/C30H34F4N6O2/c1-18-16-40(17-19(2)38(18)3)26-13-24(31)21(20-7-8-27(35-14-20)39-9-5-4-6-10-39)11-25(26)37-29(42)22-15-36-28(41)12-23(22)30(32,33)34/h7-8,11-15,18-19H,4-6,9-10,16-17H2,1-3H3,(H,36,41)(H,37,42)/t18-,19+.
What are the key properties of N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 586.63 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-(6-piperidin-1-yl-3-pyridinyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 161441354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).