6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H17ClN6 — CID 24910348

About 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910348) has the molecular formula C20H17ClN6 and a molecular weight of 376.85 g/mol. Its IUPAC name is 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24910348
• Molecular Formula: C20H17ClN6
• Molecular Weight: 376.85 g/mol
• Exact Mass: 376.12
• IUPAC Name: 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Clc1ccc2[nH]cc(CN3CCc4nc(-c5cncnc5)ncc4C3)c2c1
• InChI: InChI=1S/C20H17ClN6/c21-16-1-2-19-17(5-16)14(8-24-19)10-27-4-3-18-15(11-27)9-25-20(26-18)13-6-22-12-23-7-13/h1-2,5-9,12,24H,3-4,10-11H2
• InChIKey: XAZIAMHVUXZPCR-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.85
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910348) is 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc2[nH]cc(CN3CCc4nc(-c5cncnc5)ncc4C3)c2c1.

What is the InChIKey of 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is XAZIAMHVUXZPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6/c21-16-1-2-19-17(5-16)14(8-24-19)10-27-4-3-18-15(11-27)9-25-20(26-18)13-6-22-12-23-7-13/h1-2,5-9,12,24H,3-4,10-11H2.

What are the key properties of 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 376.85 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-chloro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).