N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C30H28FN5O3 — CID 42432553

About N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 42432553) has the molecular formula C30H28FN5O3 and a molecular weight of 525.58 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 42432553
• Molecular Formula: C30H28FN5O3
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.22
• IUPAC Name: N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: COc1ccc(CN(Cc2ccncc2)C(=O)c2cc3nc(C)cc(C)n3n2)cc1OCc1ccccc1F
• InChI: InChI=1S/C30H28FN5O3/c1-20-14-21(2)36-29(33-20)16-26(34-36)30(37)35(17-22-10-12-32-13-11-22)18-23-8-9-27(38-3)28(15-23)39-19-24-6-4-5-7-25(24)31/h4-16H,17-19H2,1-3H3
• InChIKey: LDSKCCLVNCCLOX-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 81.85 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.58
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 42432553) is N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(CN(Cc2ccncc2)C(=O)c2cc3nc(C)cc(C)n3n2)cc1OCc1ccccc1F.

What is the InChIKey of N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is LDSKCCLVNCCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O3/c1-20-14-21(2)36-29(33-20)16-26(34-36)30(37)35(17-22-10-12-32-13-11-22)18-23-8-9-27(38-3)28(15-23)39-19-24-6-4-5-7-25(24)31/h4-16H,17-19H2,1-3H3.

What are the key properties of N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 525.58 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 42432553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).