6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine

C41H32FN5O — CID 68812070

IUPAC6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine
SMILESCOc1cccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)n1
InChIInChI=1S/C41H32FN5O/c1-48-39-19-11-18-36(44-39)37-26-43-38-25-22-30(27-46(37)38)35-28-47(45-40(35)29-20-23-34(42)24-21-29)41(31-12-5-2-6-13-31,32-14-7-3-8-15-32)33-16-9-4-10-17-33/h2-16,18-28,33H,17H2,1H3
InChIKeyZCSOSVBTMMLMES-UHFFFAOYSA-N
MW629.74 g/mol
LogP9.00
Rot. Bonds8

About 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine

6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine (PubChem CID 68812070) has the molecular formula C41H32FN5O and a molecular weight of 629.74 g/mol. Its IUPAC name is 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine
PubChem CID68812070
Molecular FormulaC41H32FN5O
Molecular Weight629.74 g/mol
Exact Mass629.26
IUPAC Name6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine
SMILESCOc1cccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)n1
InChIInChI=1S/C41H32FN5O/c1-48-39-19-11-18-36(44-39)37-26-43-38-25-22-30(27-46(37)38)35-28-47(45-40(35)29-20-23-34(42)24-21-29)41(31-12-5-2-6-13-31,32-14-7-3-8-15-32)33-16-9-4-10-17-33/h2-16,18-28,33H,17H2,1H3
InChIKeyZCSOSVBTMMLMES-UHFFFAOYSA-N
XLogP9.00
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.74
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine (CID 68812070) is 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine is COc1cccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)n1.
What is the InChIKey of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine?
The InChIKey is ZCSOSVBTMMLMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32FN5O/c1-48-39-19-11-18-36(44-39)37-26-43-38-25-22-30(27-46(37)38)35-28-47(45-40(35)29-20-23-34(42)24-21-29)41(31-12-5-2-6-13-31,32-14-7-3-8-15-32)33-16-9-4-10-17-33/h2-16,18-28,33H,17H2,1H3.
What are the key properties of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine?
6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine has a molecular weight of 629.74 g/mol, XLogP of 9.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 68812070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).