[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone

C28H32N6O — CID 129231242

About [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone

[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone (PubChem CID 129231242) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone.

Molecular Properties

• Compound Name: [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone
• PubChem CID: 129231242
• Molecular Formula: C28H32N6O
• Molecular Weight: 468.61 g/mol
• Exact Mass: 468.26
• IUPAC Name: [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone
• SMILES: Cn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3CCCC4(CCNC4)C3)ccc21
• InChI: InChI=1S/C28H32N6O/c1-32-23-8-7-21(27(35)33-13-3-9-28(18-33)10-12-29-17-28)14-22(23)31-26(32)24-15-20-4-2-11-30-25(20)34(24)16-19-5-6-19/h2,4,7-8,11,14-15,19,29H,3,5-6,9-10,12-13,16-18H2,1H3
• InChIKey: ZQNRMPKLXFDVPR-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 67.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.61
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone?

The IUPAC name of [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone (CID 129231242) is [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone.

What is the SMILES notation for [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone?

The canonical SMILES for [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone is Cn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3CCCC4(CCNC4)C3)ccc21.

What is the InChIKey of [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone?

The InChIKey is ZQNRMPKLXFDVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-32-23-8-7-21(27(35)33-13-3-9-28(18-33)10-12-29-17-28)14-22(23)31-26(32)24-15-20-4-2-11-30-25(20)34(24)16-19-5-6-19/h2,4,7-8,11,14-15,19,29H,3,5-6,9-10,12-13,16-18H2,1H3.

What are the key properties of [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone?

[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone has a molecular weight of 468.61 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone is sourced from PubChem (CID 129231242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).