6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane

C23H22ClN7 — CID 169133232

About 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane

6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane (PubChem CID 169133232) has the molecular formula C23H22ClN7 and a molecular weight of 431.93 g/mol. Its IUPAC name is 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane.

Molecular Properties

• Compound Name: 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane
• PubChem CID: 169133232
• Molecular Formula: C23H22ClN7
• Molecular Weight: 431.93 g/mol
• Exact Mass: 431.16
• IUPAC Name: 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane
• SMILES: CC.Cc1cc(Nc2ncnc3ccc(Cl)nc23)ccc1Cc1ccn2ncnc2c1
• InChI: InChI=1S/C21H16ClN7.C2H6/c1-13-8-16(27-21-20-17(23-11-25-21)4-5-18(22)28-20)3-2-15(13)9-14-6-7-29-19(10-14)24-12-26-29;1-2/h2-8,10-12H,9H2,1H3,(H,23,25,27);1-2H3
• InChIKey: YZDMPNBEBBFRRD-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 80.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.93
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane?

The IUPAC name of 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane (CID 169133232) is 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane.

What is the SMILES notation for 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane?

The canonical SMILES for 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane is CC.Cc1cc(Nc2ncnc3ccc(Cl)nc23)ccc1Cc1ccn2ncnc2c1.

What is the InChIKey of 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane?

The InChIKey is YZDMPNBEBBFRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN7.C2H6/c1-13-8-16(27-21-20-17(23-11-25-21)4-5-18(22)28-20)3-2-15(13)9-14-6-7-29-19(10-14)24-12-26-29;1-2/h2-8,10-12H,9H2,1H3,(H,23,25,27);1-2H3.

What are the key properties of 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane?

6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane has a molecular weight of 431.93 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 169133232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).