[(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C31H36N8O2 — CID 156829552

About [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829552) has the molecular formula C31H36N8O2 and a molecular weight of 552.68 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
• PubChem CID: 156829552
• Molecular Formula: C31H36N8O2
• Molecular Weight: 552.68 g/mol
• Exact Mass: 552.30
• IUPAC Name: [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
• SMILES: Cc1c(-c2cc3cccc(OCCn4cc(N)cn4)c3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)ccc12
• InChI: InChI=1S/C31H36N8O2/c1-20-26-10-9-23(31(40)36-11-3-5-24(32)18-36)17-39(26)35-29(20)27-14-22-4-2-6-28(30(22)38(27)16-21-7-8-21)41-13-12-37-19-25(33)15-34-37/h2,4,6,9-10,14-15,17,19,21,24H,3,5,7-8,11-13,16,18,32-33H2,1H3/t24-/m1/s1
• InChIKey: IKNRDUUFQHLWSP-XMMPIXPASA-N
• XLogP: 4.10
• TPSA: 121.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.68
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829552) is [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3cccc(OCCn4cc(N)cn4)c3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)ccc12.

What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The InChIKey is IKNRDUUFQHLWSP-XMMPIXPASA-N. The full InChI is InChI=1S/C31H36N8O2/c1-20-26-10-9-23(31(40)36-11-3-5-24(32)18-36)17-39(26)35-29(20)27-14-22-4-2-6-28(30(22)38(27)16-21-7-8-21)41-13-12-37-19-25(33)15-34-37/h2,4,6,9-10,14-15,17,19,21,24H,3,5,7-8,11-13,16,18,32-33H2,1H3/t24-/m1/s1.

What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

[(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 552.68 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-aminopiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).