(2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide

C22H23F3N6O2 — CID 155253743

IUPAC(2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)N4CCO[C@@H](C(F)(F)F)C4)ccc3C)c(C)nc2n1
InChIInChI=1S/C22H23F3N6O2/c1-12-4-5-15(29-21(32)31-6-7-33-18(11-31)22(23,24)25)9-16(12)17-8-14-10-27-20(26-3)30-19(14)28-13(17)2/h4-5,8-10,18H,6-7,11H2,1-3H3,(H,29,32)(H,26,27,28,30)/t18-/m1/s1
InChIKeyTYIKRHAJVSYBKN-GOSISDBHSA-N
MW460.46 g/mol
LogP4.15
Rot. Bonds3

About (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide

(2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 155253743) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID155253743
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC Name(2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)N4CCO[C@@H](C(F)(F)F)C4)ccc3C)c(C)nc2n1
InChIInChI=1S/C22H23F3N6O2/c1-12-4-5-15(29-21(32)31-6-7-33-18(11-31)22(23,24)25)9-16(12)17-8-14-10-27-20(26-3)30-19(14)28-13(17)2/h4-5,8-10,18H,6-7,11H2,1-3H3,(H,29,32)(H,26,27,28,30)/t18-/m1/s1
InChIKeyTYIKRHAJVSYBKN-GOSISDBHSA-N
XLogP4.15
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (CID 155253743) is (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is CNc1ncc2cc(-c3cc(NC(=O)N4CCO[C@@H](C(F)(F)F)C4)ccc3C)c(C)nc2n1.
What is the InChIKey of (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is TYIKRHAJVSYBKN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-12-4-5-15(29-21(32)31-6-7-33-18(11-31)22(23,24)25)9-16(12)17-8-14-10-27-20(26-3)30-19(14)28-13(17)2/h4-5,8-10,18H,6-7,11H2,1-3H3,(H,29,32)(H,26,27,28,30)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
(2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 155253743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).