2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide

C28H34FN5O — CID 142594572

About 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 142594572) has the molecular formula C28H34FN5O and a molecular weight of 475.61 g/mol. Its IUPAC name is 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
• PubChem CID: 142594572
• Molecular Formula: C28H34FN5O
• Molecular Weight: 475.61 g/mol
• Exact Mass: 475.27
• IUPAC Name: 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
• SMILES: Cc1nn2ccc(-c3[nH]c4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4c3C(C)C)cc2c1F
• InChI: InChI=1S/C28H34FN5O/c1-17(2)26-22-14-20(19-8-11-33(12-9-19)16-25(35)32(4)5)6-7-23(22)30-28(26)21-10-13-34-24(15-21)27(29)18(3)31-34/h6-7,10,13-15,17,19,30H,8-9,11-12,16H2,1-5H3
• InChIKey: OCYADJPCGDSQEP-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 56.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.61
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 142594572) is 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is Cc1nn2ccc(-c3[nH]c4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4c3C(C)C)cc2c1F.

What is the InChIKey of 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?

The InChIKey is OCYADJPCGDSQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O/c1-17(2)26-22-14-20(19-8-11-33(12-9-19)16-25(35)32(4)5)6-7-23(22)30-28(26)21-10-13-34-24(15-21)27(29)18(3)31-34/h6-7,10,13-15,17,19,30H,8-9,11-12,16H2,1-5H3.

What are the key properties of 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?

2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 475.61 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 142594572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).