[6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

C24H23F3N4O — CID 58207460

IUPAC[6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1cccc(C2CN(c3ccc(C(F)(F)F)c(C(=O)c4cccnc4C)n3)CCN2)c1
InChIInChI=1S/C24H23F3N4O/c1-15-5-3-6-17(13-15)20-14-31(12-11-29-20)21-9-8-19(24(25,26)27)22(30-21)23(32)18-7-4-10-28-16(18)2/h3-10,13,20,29H,11-12,14H2,1-2H3
InChIKeyXWMCXCPIPWTSNA-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.49
Rot. Bonds4

About [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

[6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 58207460) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
PubChem CID58207460
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC Name[6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1cccc(C2CN(c3ccc(C(F)(F)F)c(C(=O)c4cccnc4C)n3)CCN2)c1
InChIInChI=1S/C24H23F3N4O/c1-15-5-3-6-17(13-15)20-14-31(12-11-29-20)21-9-8-19(24(25,26)27)22(30-21)23(32)18-7-4-10-28-16(18)2/h3-10,13,20,29H,11-12,14H2,1-2H3
InChIKeyXWMCXCPIPWTSNA-UHFFFAOYSA-N
XLogP4.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

Ubrogepant
CID 68748835
BPKDi
CID 46901383
3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
CID 68161871
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
2-Piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide
CID 46901542
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone
CID 57690545
3-amino-N-[4-(2-amino-4-pyridinyl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68161034
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68162802
3-amino-N-[4-(2-amino-6-methyl-4-pyridinyl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68163204
3-amino-N-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68187352
3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyridin-3-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68187418
5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(4,6-dimethylpyridin-2-yl)amino]pyridine-2-carboxamide
CID 71533675

Frequently Asked Questions

What is the IUPAC name of [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (CID 58207460) is [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is Cc1cccc(C2CN(c3ccc(C(F)(F)F)c(C(=O)c4cccnc4C)n3)CCN2)c1.
What is the InChIKey of [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is XWMCXCPIPWTSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c1-15-5-3-6-17(13-15)20-14-31(12-11-29-20)21-9-8-19(24(25,26)27)22(30-21)23(32)18-7-4-10-28-16(18)2/h3-10,13,20,29H,11-12,14H2,1-2H3.
What are the key properties of [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
[6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 440.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 58207460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).