5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine

C26H25FN6O — CID 141273909

IUPAC5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine
SMILESCOc1cc(N2c3ccc(C4CC4)nc3N(C)C2c2ccc(F)cc2)ccc1-n1cnc(C)n1
InChIInChI=1S/C26H25FN6O/c1-16-28-15-32(30-16)22-12-10-20(14-24(22)34-3)33-23-13-11-21(17-4-5-17)29-25(23)31(2)26(33)18-6-8-19(27)9-7-18/h6-15,17,26H,4-5H2,1-3H3
InChIKeyAISPCFXTBFMTRP-UHFFFAOYSA-N
MW456.53 g/mol
LogP5.28
Rot. Bonds5

About 5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine

5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine (PubChem CID 141273909) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine
PubChem CID141273909
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine
SMILESCOc1cc(N2c3ccc(C4CC4)nc3N(C)C2c2ccc(F)cc2)ccc1-n1cnc(C)n1
InChIInChI=1S/C26H25FN6O/c1-16-28-15-32(30-16)22-12-10-20(14-24(22)34-3)33-23-13-11-21(17-4-5-17)29-25(23)31(2)26(33)18-6-8-19(27)9-7-18/h6-15,17,26H,4-5H2,1-3H3
InChIKeyAISPCFXTBFMTRP-UHFFFAOYSA-N
XLogP5.28
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine (CID 141273909) is 5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine is COc1cc(N2c3ccc(C4CC4)nc3N(C)C2c2ccc(F)cc2)ccc1-n1cnc(C)n1.
What is the InChIKey of 5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine?
The InChIKey is AISPCFXTBFMTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O/c1-16-28-15-32(30-16)22-12-10-20(14-24(22)34-3)33-23-13-11-21(17-4-5-17)29-25(23)31(2)26(33)18-6-8-19(27)9-7-18/h6-15,17,26H,4-5H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine?
5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine has a molecular weight of 456.53 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-fluorophenyl)-1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-3-methyl-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 141273909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).