[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen

C20H25F3N4O — CID 159617044

IUPAC[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
SMILESCc1ncccc1C(=O)c1nc(N2CCNC(C3CC3)C2)ccc1C(F)(F)F.[H][H].[H][H]
InChIInChI=1S/C20H21F3N4O.2H2/c1-12-14(3-2-8-24-12)19(28)18-15(20(21,22)23)6-7-17(26-18)27-10-9-25-16(11-27)13-4-5-13;;/h2-3,6-8,13,16,25H,4-5,9-11H2,1H3;2*1H
InChIKeyMNKHHHATPIJADB-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.72
Rot. Bonds4

About [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen

[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen (PubChem CID 159617044) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen.

Molecular Properties

Compound Name[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
PubChem CID159617044
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC Name[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
SMILESCc1ncccc1C(=O)c1nc(N2CCNC(C3CC3)C2)ccc1C(F)(F)F.[H][H].[H][H]
InChIInChI=1S/C20H21F3N4O.2H2/c1-12-14(3-2-8-24-12)19(28)18-15(20(21,22)23)6-7-17(26-18)27-10-9-25-16(11-27)13-4-5-13;;/h2-3,6-8,13,16,25H,4-5,9-11H2,1H3;2*1H
InChIKeyMNKHHHATPIJADB-UHFFFAOYSA-N
XLogP3.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen 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

[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 159182501
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 161397351
[3-(1-fluoroethenyl)-6-[(3S)-3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 159031945
[3-ethynyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 160823075
(2-methyl-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone
CID 160675066
(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone
CID 58207545
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;molecular hydrogen
CID 162186474
[6-[[(2R)-2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 159444107
2-methyl-1-[4-[6-[N-methyl-C-(2-methyl-3-pyridinyl)carbonimidoyl]-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propan-1-amine
CID 91353420
(2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 157168458
[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 160802202
[6-[[4-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 158191323

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen?
The IUPAC name of [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen (CID 159617044) is [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen.
What is the SMILES notation for [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen?
The canonical SMILES for [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen is Cc1ncccc1C(=O)c1nc(N2CCNC(C3CC3)C2)ccc1C(F)(F)F.[H][H].[H][H].
What is the InChIKey of [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen?
The InChIKey is MNKHHHATPIJADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O.2H2/c1-12-14(3-2-8-24-12)19(28)18-15(20(21,22)23)6-7-17(26-18)27-10-9-25-16(11-27)13-4-5-13;;/h2-3,6-8,13,16,25H,4-5,9-11H2,1H3;2*1H.
What are the key properties of [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen?
[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen has a molecular weight of 394.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen is sourced from PubChem (CID 159617044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).