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

C24H26ClF3N6 — CID 145489919

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

6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane (PubChem CID 145489919) has the molecular formula C24H26ClF3N6 and a molecular weight of 490.96 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane.

Molecular Properties

• Compound Name: 6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane
• PubChem CID: 145489919
• Molecular Formula: C24H26ClF3N6
• Molecular Weight: 490.96 g/mol
• Exact Mass: 490.19
• IUPAC Name: 6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane
• SMILES: CC.FC(F)(F)c1ccc(C(Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)C2CC2)cn1
• InChI: InChI=1S/C22H20ClF3N6.C2H6/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;1-2/h3-6,9-10,12-13,20H,1-2,7-8,11H2,(H,29,30,31);1-2H3
• InChIKey: RQIPXDLMPYDWOY-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 66.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.96
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane?

The IUPAC name of 6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane (CID 145489919) is 6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane.

What is the SMILES notation for 6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane?

The canonical SMILES for 6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane is CC.FC(F)(F)c1ccc(C(Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)C2CC2)cn1.

What is the InChIKey of 6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane?

The InChIKey is RQIPXDLMPYDWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N6.C2H6/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;1-2/h3-6,9-10,12-13,20H,1-2,7-8,11H2,(H,29,30,31);1-2H3.

What are the key properties of 6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane?

6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane has a molecular weight of 490.96 g/mol, XLogP of 6.09, 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-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 145489919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).