(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone

C21H21N5O — CID 136555351

About (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone

(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 136555351) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

• Compound Name: (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
• PubChem CID: 136555351
• Molecular Formula: C21H21N5O
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.17
• IUPAC Name: (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
• SMILES: O=C(c1ccc(Cn2cccn2)cc1)N1CCc2nc(C3CC3)ncc2C1
• InChI: InChI=1S/C21H21N5O/c27-21(17-4-2-15(3-5-17)13-26-10-1-9-23-26)25-11-8-19-18(14-25)12-22-20(24-19)16-6-7-16/h1-5,9-10,12,16H,6-8,11,13-14H2
• InChIKey: YSQDAFLSRZHICN-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?

The IUPAC name of (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone (CID 136555351) is (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone.

What is the SMILES notation for (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?

The canonical SMILES for (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Cn2cccn2)cc1)N1CCc2nc(C3CC3)ncc2C1.

What is the InChIKey of (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?

The InChIKey is YSQDAFLSRZHICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-21(17-4-2-15(3-5-17)13-26-10-1-9-23-26)25-11-8-19-18(14-25)12-22-20(24-19)16-6-7-16/h1-5,9-10,12,16H,6-8,11,13-14H2.

What are the key properties of (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?

(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 359.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 136555351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).