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

C21H19N5 — CID 24912905

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

6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912905) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24912905
• Molecular Formula: C21H19N5
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.16
• IUPAC Name: 6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1cncc(-c2ncc3c(n2)CCN(Cc2cc4ccccc4[nH]2)C3)c1
• InChI: InChI=1S/C21H19N5/c1-2-6-19-15(4-1)10-18(24-19)14-26-9-7-20-17(13-26)12-23-21(25-20)16-5-3-8-22-11-16/h1-6,8,10-12,24H,7,9,13-14H2
• InChIKey: TYKNMKNEHHKNBJ-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912905) is 6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cncc(-c2ncc3c(n2)CCN(Cc2cc4ccccc4[nH]2)C3)c1.

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

The InChIKey is TYKNMKNEHHKNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-6-19-15(4-1)10-18(24-19)14-26-9-7-20-17(13-26)12-23-21(25-20)16-5-3-8-22-11-16/h1-6,8,10-12,24H,7,9,13-14H2.

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

6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 341.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).