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

C27H29N7O — CID 19425834

IUPAC3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(c2ccccc2)C(CO)c2nn[nH]n2)cc1
InChIInChI=1S/C27H29N7O/c1-4-23-29-25-17(2)14-18(3)28-27(25)34(23)15-19-10-12-21(13-11-19)24(20-8-6-5-7-9-20)22(16-35)26-30-32-33-31-26/h5-14,22,24,35H,4,15-16H2,1-3H3,(H,30,31,32,33)
InChIKeyCIWBRYNCQDFGEU-UHFFFAOYSA-N
MW467.58 g/mol
LogP4.08
Rot. Bonds8

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

3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol (PubChem CID 19425834) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol
PubChem CID19425834
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(c2ccccc2)C(CO)c2nn[nH]n2)cc1
InChIInChI=1S/C27H29N7O/c1-4-23-29-25-17(2)14-18(3)28-27(25)34(23)15-19-10-12-21(13-11-19)24(20-8-6-5-7-9-20)22(16-35)26-30-32-33-31-26/h5-14,22,24,35H,4,15-16H2,1-3H3,(H,30,31,32,33)
InChIKeyCIWBRYNCQDFGEU-UHFFFAOYSA-N
XLogP4.08
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol?
The IUPAC name of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol (CID 19425834) is 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol?
The canonical SMILES for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(c2ccccc2)C(CO)c2nn[nH]n2)cc1.
What is the InChIKey of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol?
The InChIKey is CIWBRYNCQDFGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-4-23-29-25-17(2)14-18(3)28-27(25)34(23)15-19-10-12-21(13-11-19)24(20-8-6-5-7-9-20)22(16-35)26-30-32-33-31-26/h5-14,22,24,35H,4,15-16H2,1-3H3,(H,30,31,32,33).
What are the key properties of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol?
3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol has a molecular weight of 467.58 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenyl-2-(2H-tetrazol-5-yl)propan-1-ol is sourced from PubChem (CID 19425834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).