3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

C27H25F2N3O2 — CID 177097844

About 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 177097844) has the molecular formula C27H25F2N3O2 and a molecular weight of 461.51 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
• PubChem CID: 177097844
• Molecular Formula: C27H25F2N3O2
• Molecular Weight: 461.51 g/mol
• Exact Mass: 461.19
• IUPAC Name: 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
• SMILES: Cc1nn2c(C(C)C)c(C(=O)N[C@@H]3c4ccccc4C[C@H]3O)ccc2c1-c1c(F)cccc1F
• InChI: InChI=1S/C27H25F2N3O2/c1-14(2)26-18(27(34)30-25-17-8-5-4-7-16(17)13-22(25)33)11-12-21-23(15(3)31-32(21)26)24-19(28)9-6-10-20(24)29/h4-12,14,22,25,33H,13H2,1-3H3,(H,30,34)/t22-,25-/m1/s1
• InChIKey: JTCFKBJRJFDAHY-RCZVLFRGSA-N
• XLogP: 5.10
• TPSA: 66.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.51
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The IUPAC name of 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 177097844) is 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The canonical SMILES for 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is Cc1nn2c(C(C)C)c(C(=O)N[C@@H]3c4ccccc4C[C@H]3O)ccc2c1-c1c(F)cccc1F.

What is the InChIKey of 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The InChIKey is JTCFKBJRJFDAHY-RCZVLFRGSA-N. The full InChI is InChI=1S/C27H25F2N3O2/c1-14(2)26-18(27(34)30-25-17-8-5-4-7-16(17)13-22(25)33)11-12-21-23(15(3)31-32(21)26)24-19(28)9-6-10-20(24)29/h4-12,14,22,25,33H,13H2,1-3H3,(H,30,34)/t22-,25-/m1/s1.

What are the key properties of 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 461.51 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 177097844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).