1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide

C27H28FN5O4 — CID 142600896

About 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide

1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 142600896) has the molecular formula C27H28FN5O4 and a molecular weight of 505.55 g/mol. Its IUPAC name is 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
• PubChem CID: 142600896
• Molecular Formula: C27H28FN5O4
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.21
• IUPAC Name: 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
• SMILES: COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C
• InChI: InChI=1S/C27H28FN5O4/c1-18-23(29-11-10-25(18)37-3)12-30-27(35)22-16-33(31-24(22)17-36-2)14-20-6-4-19(5-7-20)13-32-15-21(28)8-9-26(32)34/h4-11,15-16H,12-14,17H2,1-3H3,(H,30,35)
• InChIKey: DYRFDGSHXXKCFN-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 100.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?

The IUPAC name of 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide (CID 142600896) is 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C.

What is the InChIKey of 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?

The InChIKey is DYRFDGSHXXKCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O4/c1-18-23(29-11-10-25(18)37-3)12-30-27(35)22-16-33(31-24(22)17-36-2)14-20-6-4-19(5-7-20)13-32-15-21(28)8-9-26(32)34/h4-11,15-16H,12-14,17H2,1-3H3,(H,30,35).

What are the key properties of 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?

1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 505.55 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)-N-[(4-methoxy-3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 142600896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).