2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone

C28H35N7O — CID 142593718

About 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone

2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone (PubChem CID 142593718) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
• PubChem CID: 142593718
• Molecular Formula: C28H35N7O
• Molecular Weight: 485.64 g/mol
• Exact Mass: 485.29
• IUPAC Name: 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
• SMILES: Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5CC5)CC4)cc3c2C(C)C)cn2nnnc12
• InChI: InChI=1S/C28H35N7O/c1-17(2)26-23-14-20(19-9-11-34(12-10-19)25(36)16-33(4)22-6-7-22)5-8-24(23)29-27(26)21-13-18(3)28-30-31-32-35(28)15-21/h5,8,13-15,17,19,22,29H,6-7,9-12,16H2,1-4H3
• InChIKey: SJTIHGJRGWRGGM-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 82.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.64
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone (CID 142593718) is 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5CC5)CC4)cc3c2C(C)C)cn2nnnc12.

What is the InChIKey of 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?

The InChIKey is SJTIHGJRGWRGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-17(2)26-23-14-20(19-9-11-34(12-10-19)25(36)16-33(4)22-6-7-22)5-8-24(23)29-27(26)21-13-18(3)28-30-31-32-35(28)15-21/h5,8,13-15,17,19,22,29H,6-7,9-12,16H2,1-4H3.

What are the key properties of 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?

2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 485.64 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 142593718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).