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

C22H21N7O — CID 24911314

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

6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911314) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24911314
• Molecular Formula: C22H21N7O
• Molecular Weight: 399.46 g/mol
• Exact Mass: 399.18
• IUPAC Name: 6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1ccc(-c2[nH]ncc2CN2CCc3nc(-c4cncnc4)ncc3C2)cc1
• InChI: InChI=1S/C22H21N7O/c1-30-19-4-2-15(3-5-19)21-18(11-26-28-21)13-29-7-6-20-17(12-29)10-25-22(27-20)16-8-23-14-24-9-16/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,26,28)
• InChIKey: VGPHNDDOKMRWNP-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.46
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911314) is 6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(-c2[nH]ncc2CN2CCc3nc(-c4cncnc4)ncc3C2)cc1.

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

The InChIKey is VGPHNDDOKMRWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-30-19-4-2-15(3-5-19)21-18(11-26-28-21)13-29-7-6-20-17(12-29)10-25-22(27-20)16-8-23-14-24-9-16/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,26,28).

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

6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 399.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).