3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol

C21H23N3O — CID 69005184

IUPAC3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol
SMILESCc1cc(C)c2nc(C3CC3)n(Cc3ccc(C=CCO)cc3)c2n1
InChIInChI=1S/C21H23N3O/c1-14-12-15(2)22-21-19(14)23-20(18-9-10-18)24(21)13-17-7-5-16(6-8-17)4-3-11-25/h3-8,12,18,25H,9-11,13H2,1-2H3
InChIKeyXJWUYUOAJDKDJA-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.98
Rot. Bonds5

About 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol

3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol (PubChem CID 69005184) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol
PubChem CID69005184
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol
SMILESCc1cc(C)c2nc(C3CC3)n(Cc3ccc(C=CCO)cc3)c2n1
InChIInChI=1S/C21H23N3O/c1-14-12-15(2)22-21-19(14)23-20(18-9-10-18)24(21)13-17-7-5-16(6-8-17)4-3-11-25/h3-8,12,18,25H,9-11,13H2,1-2H3
InChIKeyXJWUYUOAJDKDJA-UHFFFAOYSA-N
XLogP3.98
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol?
The IUPAC name of 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol (CID 69005184) is 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol is Cc1cc(C)c2nc(C3CC3)n(Cc3ccc(C=CCO)cc3)c2n1.
What is the InChIKey of 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol?
The InChIKey is XJWUYUOAJDKDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-12-15(2)22-21-19(14)23-20(18-9-10-18)24(21)13-17-7-5-16(6-8-17)4-3-11-25/h3-8,12,18,25H,9-11,13H2,1-2H3.
What are the key properties of 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol?
3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol has a molecular weight of 333.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol is sourced from PubChem (CID 69005184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).