7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole

C27H26N4 — CID 160599154

IUPAC7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole
SMILESCc1cc2c(cc1N1CC3(CCCCC3)c3cccnc31)nc1n2-c2ccccc2C1
InChIInChI=1S/C27H26N4/c1-18-14-24-21(29-25-15-19-8-3-4-10-22(19)31(24)25)16-23(18)30-17-27(11-5-2-6-12-27)20-9-7-13-28-26(20)30/h3-4,7-10,13-14,16H,2,5-6,11-12,15,17H2,1H3
InChIKeySBSQKYNYOCZWHA-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.99
Rot. Bonds1

About 7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole

7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole (PubChem CID 160599154) has the molecular formula C27H26N4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole
PubChem CID160599154
Molecular FormulaC27H26N4
Molecular Weight406.53 g/mol
Exact Mass406.22
IUPAC Name7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole
SMILESCc1cc2c(cc1N1CC3(CCCCC3)c3cccnc31)nc1n2-c2ccccc2C1
InChIInChI=1S/C27H26N4/c1-18-14-24-21(29-25-15-19-8-3-4-10-22(19)31(24)25)16-23(18)30-17-27(11-5-2-6-12-27)20-9-7-13-28-26(20)30/h3-4,7-10,13-14,16H,2,5-6,11-12,15,17H2,1H3
InChIKeySBSQKYNYOCZWHA-UHFFFAOYSA-N
XLogP5.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole?
The IUPAC name of 7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole (CID 160599154) is 7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole.
What is the SMILES notation for 7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole?
The canonical SMILES for 7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole is Cc1cc2c(cc1N1CC3(CCCCC3)c3cccnc31)nc1n2-c2ccccc2C1.
What is the InChIKey of 7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole?
The InChIKey is SBSQKYNYOCZWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4/c1-18-14-24-21(29-25-15-19-8-3-4-10-22(19)31(24)25)16-23(18)30-17-27(11-5-2-6-12-27)20-9-7-13-28-26(20)30/h3-4,7-10,13-14,16H,2,5-6,11-12,15,17H2,1H3.
What are the key properties of 7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole?
7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole has a molecular weight of 406.53 g/mol, XLogP of 5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-1-yl-11H-indolo[1,2-a]benzimidazole is sourced from PubChem (CID 160599154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).