(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C24H23F3N6O — CID 118939858

IUPAC(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2[C@H](C)[C@H]3C[C@@H](Nc4ccc(C(F)(F)F)cn4)[C@@H]2C3)n1
InChIInChI=1S/C24H23F3N6O/c1-13-4-6-17(22-28-8-3-9-29-22)21(31-13)23(34)33-14(2)15-10-18(19(33)11-15)32-20-7-5-16(12-30-20)24(25,26)27/h3-9,12,14-15,18-19H,10-11H2,1-2H3,(H,30,32)/t14-,15+,18-,19+/m1/s1
InChIKeyQXAGTYLERYKFIQ-OHQAAIJDSA-N
MW468.48 g/mol
LogP4.36
Rot. Bonds4

About (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 118939858) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID118939858
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2[C@H](C)[C@H]3C[C@@H](Nc4ccc(C(F)(F)F)cn4)[C@@H]2C3)n1
InChIInChI=1S/C24H23F3N6O/c1-13-4-6-17(22-28-8-3-9-29-22)21(31-13)23(34)33-14(2)15-10-18(19(33)11-15)32-20-7-5-16(12-30-20)24(25,26)27/h3-9,12,14-15,18-19H,10-11H2,1-2H3,(H,30,32)/t14-,15+,18-,19+/m1/s1
InChIKeyQXAGTYLERYKFIQ-OHQAAIJDSA-N
XLogP4.36
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 118939858) is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H](C)[C@H]3C[C@@H](Nc4ccc(C(F)(F)F)cn4)[C@@H]2C3)n1.
What is the InChIKey of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is QXAGTYLERYKFIQ-OHQAAIJDSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-13-4-6-17(22-28-8-3-9-29-22)21(31-13)23(34)33-14(2)15-10-18(19(33)11-15)32-20-7-5-16(12-30-20)24(25,26)27/h3-9,12,14-15,18-19H,10-11H2,1-2H3,(H,30,32)/t14-,15+,18-,19+/m1/s1.
What are the key properties of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 468.48 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 118939858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).