(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

C25H24F3N5O — CID 59363713

IUPAC(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESCc1ccc(-c2ccccn2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C25H24F3N5O/c1-15-5-7-20(21-4-2-3-9-29-21)23(32-15)24(34)33-14-17-10-16(17)11-19(33)13-31-22-8-6-18(12-30-22)25(26,27)28/h2-9,12,16-17,19H,10-11,13-14H2,1H3,(H,30,31)/t16-,17+,19+/m1/s1
InChIKeyDGMZYZUNIBRHAQ-AOIWGVFYSA-N
MW467.50 g/mol
LogP4.83
Rot. Bonds5

About (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (PubChem CID 59363713) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
PubChem CID59363713
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESCc1ccc(-c2ccccn2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C25H24F3N5O/c1-15-5-7-20(21-4-2-3-9-29-21)23(32-15)24(34)33-14-17-10-16(17)11-19(33)13-31-22-8-6-18(12-30-22)25(26,27)28/h2-9,12,16-17,19H,10-11,13-14H2,1H3,(H,30,31)/t16-,17+,19+/m1/s1
InChIKeyDGMZYZUNIBRHAQ-AOIWGVFYSA-N
XLogP4.83
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The IUPAC name of (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (CID 59363713) is (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is Cc1ccc(-c2ccccn2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The InChIKey is DGMZYZUNIBRHAQ-AOIWGVFYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-15-5-7-20(21-4-2-3-9-29-21)23(32-15)24(34)33-14-17-10-16(17)11-19(33)13-31-22-8-6-18(12-30-22)25(26,27)28/h2-9,12,16-17,19H,10-11,13-14H2,1H3,(H,30,31)/t16-,17+,19+/m1/s1.
What are the key properties of (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone has a molecular weight of 467.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is sourced from PubChem (CID 59363713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).