6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C22H20ClF3N6 — CID 25033578

IUPAC6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc([C@@H](Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)C2CC2)cn1
InChIInChI=1S/C22H20ClF3N6/c23-15-4-6-19(28-10-15)32-8-7-17-16(11-32)21(30-12-29-17)31-20(13-1-2-13)14-3-5-18(27-9-14)22(24,25)26/h3-6,9-10,12-13,20H,1-2,7-8,11H2,(H,29,30,31)/t20-/m0/s1
InChIKeyCMEYRTUYGFNHBD-FQEVSTJZSA-N
MW460.89 g/mol
LogP5.06
Rot. Bonds5

About 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033578) has the molecular formula C22H20ClF3N6 and a molecular weight of 460.89 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033578
Molecular FormulaC22H20ClF3N6
Molecular Weight460.89 g/mol
Exact Mass460.14
IUPAC Name6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc([C@@H](Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)C2CC2)cn1
InChIInChI=1S/C22H20ClF3N6/c23-15-4-6-19(28-10-15)32-8-7-17-16(11-32)21(30-12-29-17)31-20(13-1-2-13)14-3-5-18(27-9-14)22(24,25)26/h3-6,9-10,12-13,20H,1-2,7-8,11H2,(H,29,30,31)/t20-/m0/s1
InChIKeyCMEYRTUYGFNHBD-FQEVSTJZSA-N
XLogP5.06
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.89
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-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 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033578) is 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is FC(F)(F)c1ccc([C@@H](Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)C2CC2)cn1.
What is the InChIKey of 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is CMEYRTUYGFNHBD-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20ClF3N6/c23-15-4-6-19(28-10-15)32-8-7-17-16(11-32)21(30-12-29-17)31-20(13-1-2-13)14-3-5-18(27-9-14)22(24,25)26/h3-6,9-10,12-13,20H,1-2,7-8,11H2,(H,29,30,31)/t20-/m0/s1.
What are the key properties of 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 460.89 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-pyridinyl)-N-[(S)-cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).