8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine

C40H29ClFN5 — CID 68812229

IUPAC8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2cc(Cl)c3ncc(-c4ccccn4)n3c2)cc1
InChIInChI=1S/C40H29ClFN5/c41-35-24-29(26-46-37(25-44-39(35)46)36-18-10-11-23-43-36)34-27-47(45-38(34)28-19-21-33(42)22-20-28)40(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-16,18-27,32H,17H2
InChIKeyPHBOFWJZCUKZLJ-UHFFFAOYSA-N
MW634.16 g/mol
LogP9.64
Rot. Bonds7

About 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine

8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine (PubChem CID 68812229) has the molecular formula C40H29ClFN5 and a molecular weight of 634.16 g/mol. Its IUPAC name is 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
PubChem CID68812229
Molecular FormulaC40H29ClFN5
Molecular Weight634.16 g/mol
Exact Mass633.21
IUPAC Name8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2cc(Cl)c3ncc(-c4ccccn4)n3c2)cc1
InChIInChI=1S/C40H29ClFN5/c41-35-24-29(26-46-37(25-44-39(35)46)36-18-10-11-23-43-36)34-27-47(45-38(34)28-19-21-33(42)22-20-28)40(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-16,18-27,32H,17H2
InChIKeyPHBOFWJZCUKZLJ-UHFFFAOYSA-N
XLogP9.64
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.16
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine (CID 68812229) is 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2cc(Cl)c3ncc(-c4ccccn4)n3c2)cc1.
What is the InChIKey of 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The InChIKey is PHBOFWJZCUKZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29ClFN5/c41-35-24-29(26-46-37(25-44-39(35)46)36-18-10-11-23-43-36)34-27-47(45-38(34)28-19-21-33(42)22-20-28)40(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-16,18-27,32H,17H2.
What are the key properties of 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine has a molecular weight of 634.16 g/mol, XLogP of 9.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 68812229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).