7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one

C22H21N5O3 — CID 66959496

About 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one

7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959496) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 66959496
• Molecular Formula: C22H21N5O3
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.16
• IUPAC Name: 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one
• SMILES: Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(OCc3cccnc3)c2c1=O
• InChI: InChI=1S/C22H21N5O3/c1-22(2,29)18-7-6-15(11-24-18)16-9-17-19(21(28)27(3)13-25-17)20(26-16)30-12-14-5-4-8-23-10-14/h4-11,13,29H,12H2,1-3H3
• InChIKey: MWOYSMHJLAODPE-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 103.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one (CID 66959496) is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(OCc3cccnc3)c2c1=O.

What is the InChIKey of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one?

The InChIKey is MWOYSMHJLAODPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-22(2,29)18-7-6-15(11-24-18)16-9-17-19(21(28)27(3)13-25-17)20(26-16)30-12-14-5-4-8-23-10-14/h4-11,13,29H,12H2,1-3H3.

What are the key properties of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one?

7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 403.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-3-ylmethoxy)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).