7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

C25H23ClF3N7O — CID 58665938

IUPAC7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESC[C@@H]1CN(Cc2nc(Nc3ccc(C(F)(F)F)nc3)c3ncc(-c4ncccc4Cl)cc3n2)C[C@H](C)O1
InChIInChI=1S/C25H23ClF3N7O/c1-14-11-36(12-15(2)37-14)13-21-34-19-8-16(22-18(26)4-3-7-30-22)9-32-23(19)24(35-21)33-17-5-6-20(31-10-17)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3,(H,33,34,35)/t14-,15+
InChIKeyGPIOLHJKRXFVMB-GASCZTMLSA-N
MW529.95 g/mol
LogP5.51
Rot. Bonds5

About 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 58665938) has the molecular formula C25H23ClF3N7O and a molecular weight of 529.95 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID58665938
Molecular FormulaC25H23ClF3N7O
Molecular Weight529.95 g/mol
Exact Mass529.16
IUPAC Name7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESC[C@@H]1CN(Cc2nc(Nc3ccc(C(F)(F)F)nc3)c3ncc(-c4ncccc4Cl)cc3n2)C[C@H](C)O1
InChIInChI=1S/C25H23ClF3N7O/c1-14-11-36(12-15(2)37-14)13-21-34-19-8-16(22-18(26)4-3-7-30-22)9-32-23(19)24(35-21)33-17-5-6-20(31-10-17)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3,(H,33,34,35)/t14-,15+
InChIKeyGPIOLHJKRXFVMB-GASCZTMLSA-N
XLogP5.51
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.95
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine 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 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (CID 58665938) is 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is C[C@@H]1CN(Cc2nc(Nc3ccc(C(F)(F)F)nc3)c3ncc(-c4ncccc4Cl)cc3n2)C[C@H](C)O1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is GPIOLHJKRXFVMB-GASCZTMLSA-N. The full InChI is InChI=1S/C25H23ClF3N7O/c1-14-11-36(12-15(2)37-14)13-21-34-19-8-16(22-18(26)4-3-7-30-22)9-32-23(19)24(35-21)33-17-5-6-20(31-10-17)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3,(H,33,34,35)/t14-,15+.
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 529.95 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58665938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).