2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid

C29H27F2N3O4 — CID 126627516

About 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid (PubChem CID 126627516) has the molecular formula C29H27F2N3O4 and a molecular weight of 519.55 g/mol. Its IUPAC name is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid
• PubChem CID: 126627516
• Molecular Formula: C29H27F2N3O4
• Molecular Weight: 519.55 g/mol
• Exact Mass: 519.20
• IUPAC Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid
• SMILES: Cc1cc(CNC(=O)c2cc3c(-c4cc(F)c5c(c4C)CCCO5)c(CC(=O)O)c(C)cn3n2)ccc1F
• InChI: InChI=1S/C29H27F2N3O4/c1-15-9-18(6-7-22(15)30)13-32-29(37)24-12-25-27(20(11-26(35)36)16(2)14-34(25)33-24)21-10-23(31)28-19(17(21)3)5-4-8-38-28/h6-7,9-10,12,14H,4-5,8,11,13H2,1-3H3,(H,32,37)(H,35,36)
• InChIKey: WRCLVFNGABDVOB-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 92.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.55
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid?

The IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid (CID 126627516) is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid.

What is the SMILES notation for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid?

The canonical SMILES for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid is Cc1cc(CNC(=O)c2cc3c(-c4cc(F)c5c(c4C)CCCO5)c(CC(=O)O)c(C)cn3n2)ccc1F.

What is the InChIKey of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid?

The InChIKey is WRCLVFNGABDVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N3O4/c1-15-9-18(6-7-22(15)30)13-32-29(37)24-12-25-27(20(11-26(35)36)16(2)14-34(25)33-24)21-10-23(31)28-19(17(21)3)5-4-8-38-28/h6-7,9-10,12,14H,4-5,8,11,13H2,1-3H3,(H,32,37)(H,35,36).

What are the key properties of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid?

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid has a molecular weight of 519.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid is sourced from PubChem (CID 126627516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).