azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine

C34H40ClF6N7O2 — CID 159319705

IUPACazane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine
SMILESC.Cc1c(C(F)(F)F)cc(N2CCCC2c2ccccn2)nc1Cl.Cc1cnc(N2CCCC2c2ccccn2)cc1C(F)(F)F.N.O=CO
InChIInChI=1S/C16H15ClF3N3.C16H16F3N3.CH2O2.CH4.H3N/c1-10-11(16(18,19)20)9-14(22-15(10)17)23-8-4-6-13(23)12-5-2-3-7-21-12;1-11-10-21-15(9-12(11)16(17,18)19)22-8-4-6-14(22)13-5-2-3-7-20-13;2-1-3;;/h2-3,5,7,9,13H,4,6,8H2,1H3;2-3,5,7,9-10,14H,4,6,8H2,1H3;1H,(H,2,3);1H4;1H3
InChIKeyATMNULNNCXGRES-UHFFFAOYSA-N
MW728.18 g/mol
LogP9.44
Rot. Bonds4

About azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine

azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 159319705) has the molecular formula C34H40ClF6N7O2 and a molecular weight of 728.18 g/mol. Its IUPAC name is azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameazane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID159319705
Molecular FormulaC34H40ClF6N7O2
Molecular Weight728.18 g/mol
Exact Mass727.28
IUPAC Nameazane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine
SMILESC.Cc1c(C(F)(F)F)cc(N2CCCC2c2ccccn2)nc1Cl.Cc1cnc(N2CCCC2c2ccccn2)cc1C(F)(F)F.N.O=CO
InChIInChI=1S/C16H15ClF3N3.C16H16F3N3.CH2O2.CH4.H3N/c1-10-11(16(18,19)20)9-14(22-15(10)17)23-8-4-6-13(23)12-5-2-3-7-21-12;1-11-10-21-15(9-12(11)16(17,18)19)22-8-4-6-14(22)13-5-2-3-7-20-13;2-1-3;;/h2-3,5,7,9,13H,4,6,8H2,1H3;2-3,5,7,9-10,14H,4,6,8H2,1H3;1H,(H,2,3);1H4;1H3
InChIKeyATMNULNNCXGRES-UHFFFAOYSA-N
XLogP9.44
TPSA130.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.18
LogP ≤ 59.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 167978249
2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
CID 95298088
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
N-(2-fluoro-6-methylphenyl)-6-[6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248387
(6-chloro-2-methylquinolin-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 70742167
2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 40637940
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 102555329
2-(3-chloro-4-fluorophenyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-4-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]pyridine
CID 59737808
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 99695577

Frequently Asked Questions

What is the IUPAC name of azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine (CID 159319705) is azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine is C.Cc1c(C(F)(F)F)cc(N2CCCC2c2ccccn2)nc1Cl.Cc1cnc(N2CCCC2c2ccccn2)cc1C(F)(F)F.N.O=CO.
What is the InChIKey of azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is ATMNULNNCXGRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3.C16H16F3N3.CH2O2.CH4.H3N/c1-10-11(16(18,19)20)9-14(22-15(10)17)23-8-4-6-13(23)12-5-2-3-7-21-12;1-11-10-21-15(9-12(11)16(17,18)19)22-8-4-6-14(22)13-5-2-3-7-20-13;2-1-3;;/h2-3,5,7,9,13H,4,6,8H2,1H3;2-3,5,7,9-10,14H,4,6,8H2,1H3;1H,(H,2,3);1H4;1H3.
What are the key properties of azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine?
azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 728.18 g/mol, XLogP of 9.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-chloro-3-methyl-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;formic acid;methane;5-methyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 159319705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).