6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H17N7O — CID 135946231

About 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946231) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135946231
• Molecular Formula: C19H17N7O
• Molecular Weight: 359.39 g/mol
• Exact Mass: 359.15
• IUPAC Name: 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1[nH]nc3ccccc13)CC2
• InChI: InChI=1S/C19H17N7O/c27-19-14-9-26(10-17-13-3-1-2-4-16(13)24-25-17)6-5-15(14)22-18(23-19)12-7-20-11-21-8-12/h1-4,7-8,11H,5-6,9-10H2,(H,24,25)(H,22,23,27)
• InChIKey: RUBGBLAARJWKFF-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 103.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.39
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946231) is 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1[nH]nc3ccccc13)CC2.

What is the InChIKey of 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is RUBGBLAARJWKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c27-19-14-9-26(10-17-13-3-1-2-4-16(13)24-25-17)6-5-15(14)22-18(23-19)12-7-20-11-21-8-12/h1-4,7-8,11H,5-6,9-10H2,(H,24,25)(H,22,23,27).

What are the key properties of 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 359.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).