5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C32H36N4O2 — CID 156829633

About 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829633) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
• PubChem CID: 156829633
• Molecular Formula: C32H36N4O2
• Molecular Weight: 508.67 g/mol
• Exact Mass: 508.28
• IUPAC Name: 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
• SMILES: Cc1c(-c2cc3ccc(C(C)(C)O)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CC5CCC3C54)ccc12
• InChI: InChI=1S/C32H36N4O2/c1-18-25-10-8-22(31(37)35-16-23-12-21-7-11-26(35)29(21)23)17-36(25)33-30(18)28-13-20-6-9-24(32(2,3)38)14-27(20)34(28)15-19-4-5-19/h6,8-10,13-14,17,19,21,23,26,29,38H,4-5,7,11-12,15-16H2,1-3H3
• InChIKey: XAAWTQIDLBZFAW-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 62.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.67
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The IUPAC name of 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829633) is 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

What is the SMILES notation for 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The canonical SMILES for 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(C(C)(C)O)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CC5CCC3C54)ccc12.

What is the InChIKey of 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The InChIKey is XAAWTQIDLBZFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-18-25-10-8-22(31(37)35-16-23-12-21-7-11-26(35)29(21)23)17-36(25)33-30(18)28-13-20-6-9-24(32(2,3)38)14-27(20)34(28)15-19-4-5-19/h6,8-10,13-14,17,19,21,23,26,29,38H,4-5,7,11-12,15-16H2,1-3H3.

What are the key properties of 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 508.67 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).