2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine

C30H23N5 — CID 140814875

IUPAC2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine
SMILESc1ccc(C(c2ccccc2)(c2ccn(-c3ccccn3)c2)c2ccn(-c3ccccn3)n2)cc1
InChIInChI=1S/C30H23N5/c1-3-11-24(12-4-1)30(25-13-5-2-6-14-25,26-17-21-34(23-26)28-15-7-9-19-31-28)27-18-22-35(33-27)29-16-8-10-20-32-29/h1-23H
InChIKeyULJCOQRJIANDBS-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.84
Rot. Bonds6

About 2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine

2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine (PubChem CID 140814875) has the molecular formula C30H23N5 and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine
PubChem CID140814875
Molecular FormulaC30H23N5
Molecular Weight453.55 g/mol
Exact Mass453.20
IUPAC Name2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine
SMILESc1ccc(C(c2ccccc2)(c2ccn(-c3ccccn3)c2)c2ccn(-c3ccccn3)n2)cc1
InChIInChI=1S/C30H23N5/c1-3-11-24(12-4-1)30(25-13-5-2-6-14-25,26-17-21-34(23-26)28-15-7-9-19-31-28)27-18-22-35(33-27)29-16-8-10-20-32-29/h1-23H
InChIKeyULJCOQRJIANDBS-UHFFFAOYSA-N
XLogP5.84
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-nitrosopyrazol-1-yl)pyridine
CID 151027458
2-[3-[3-(3-phenylphenyl)phenyl]pyrazol-1-yl]pyridine
CID 172854391
N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine
CID 59661153
(1-pyridin-2-ylpyrazol-3-yl) trifluoromethanesulfonate
CID 11197128
2-[diphenyl-(1-phenylpyrrol-3-yl)methyl]-6-phenylpyridine
CID 140814904
2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine
CID 57213945
2-pyridin-2-ylindazole
CID 58814039
2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine
CID 10171469
2-phenyl-N-(1-pyridin-2-ylpyrazol-3-yl)acetamide
CID 135315915
2-(3,4-ditert-butylpyrazol-1-yl)pyridine
CID 164762760
2-(tetrazol-1-yl)pyridine
CID 11679840
4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
CID 135429325

Frequently Asked Questions

What is the IUPAC name of 2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine?
The IUPAC name of 2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine (CID 140814875) is 2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine.
What is the SMILES notation for 2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine?
The canonical SMILES for 2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine is c1ccc(C(c2ccccc2)(c2ccn(-c3ccccn3)c2)c2ccn(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine?
The InChIKey is ULJCOQRJIANDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5/c1-3-11-24(12-4-1)30(25-13-5-2-6-14-25,26-17-21-34(23-26)28-15-7-9-19-31-28)27-18-22-35(33-27)29-16-8-10-20-32-29/h1-23H.
What are the key properties of 2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine?
2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine has a molecular weight of 453.55 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine is sourced from PubChem (CID 140814875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).