(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C31H35N7O2 — CID 166709511

About (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 166709511) has the molecular formula C31H35N7O2 and a molecular weight of 537.67 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
• PubChem CID: 166709511
• Molecular Formula: C31H35N7O2
• Molecular Weight: 537.67 g/mol
• Exact Mass: 537.29
• IUPAC Name: (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
• SMILES: Cc1c(-c2cc3cccc(OCCn4ccnc4)c3n2CC2CC2)nn2cc(C(=O)N3CCCC(N)C3)ccc12
• InChI: InChI=1S/C31H35N7O2/c1-21-26-10-9-24(31(39)36-12-3-5-25(32)19-36)18-38(26)34-29(21)27-16-23-4-2-6-28(30(23)37(27)17-22-7-8-22)40-15-14-35-13-11-33-20-35/h2,4,6,9-11,13,16,18,20,22,25H,3,5,7-8,12,14-15,17,19,32H2,1H3
• InChIKey: OKROUWZDMIYAIL-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 95.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.67
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 166709511) is (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

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

The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3cccc(OCCn4ccnc4)c3n2CC2CC2)nn2cc(C(=O)N3CCCC(N)C3)ccc12.

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

The InChIKey is OKROUWZDMIYAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O2/c1-21-26-10-9-24(31(39)36-12-3-5-25(32)19-36)18-38(26)34-29(21)27-16-23-4-2-6-28(30(23)37(27)17-22-7-8-22)40-15-14-35-13-11-33-20-35/h2,4,6,9-11,13,16,18,20,22,25H,3,5,7-8,12,14-15,17,19,32H2,1H3.

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

(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 537.67 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 166709511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).