[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

C27H24N8O — CID 10367704

IUPAC[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2-c2nn[nH]n2)c1
InChIInChI=1S/C27H24N8O/c1-4-23-29-24-16(2)13-17(3)28-26(24)35(23)15-18-9-10-22-19(14-18)11-12-34(22)27(36)21-8-6-5-7-20(21)25-30-32-33-31-25/h5-14H,4,15H2,1-3H3,(H,30,31,32,33)
InChIKeyAFOQZUNUKPCIHO-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.48
Rot. Bonds5

About [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 10367704) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID10367704
Molecular FormulaC27H24N8O
Molecular Weight476.54 g/mol
Exact Mass476.21
IUPAC Name[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2-c2nn[nH]n2)c1
InChIInChI=1S/C27H24N8O/c1-4-23-29-24-16(2)13-17(3)28-26(24)35(23)15-18-9-10-22-19(14-18)11-12-34(22)27(36)21-8-6-5-7-20(21)25-30-32-33-31-25/h5-14H,4,15H2,1-3H3,(H,30,31,32,33)
InChIKeyAFOQZUNUKPCIHO-UHFFFAOYSA-N
XLogP4.48
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (CID 10367704) is [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2-c2nn[nH]n2)c1.
What is the InChIKey of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is AFOQZUNUKPCIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c1-4-23-29-24-16(2)13-17(3)28-26(24)35(23)15-18-9-10-22-19(14-18)11-12-34(22)27(36)21-8-6-5-7-20(21)25-30-32-33-31-25/h5-14H,4,15H2,1-3H3,(H,30,31,32,33).
What are the key properties of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 476.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 10367704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).