4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline

C27H21FN4 — CID 10223896

IUPAC4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CC(c2ccc(F)cc2)C3)n1
InChIInChI=1S/C27H21FN4/c1-17-5-4-8-24(30-17)27-26(22-13-14-29-23-7-3-2-6-21(22)23)25-15-19(16-32(25)31-27)18-9-11-20(28)12-10-18/h2-14,19H,15-16H2,1H3
InChIKeyIOACUXYDVGYCSU-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.95
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline

4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline (PubChem CID 10223896) has the molecular formula C27H21FN4 and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
PubChem CID10223896
Molecular FormulaC27H21FN4
Molecular Weight420.49 g/mol
Exact Mass420.18
IUPAC Name4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CC(c2ccc(F)cc2)C3)n1
InChIInChI=1S/C27H21FN4/c1-17-5-4-8-24(30-17)27-26(22-13-14-29-23-7-3-2-6-21(22)23)25-15-19(16-32(25)31-27)18-9-11-20(28)12-10-18/h2-14,19H,15-16H2,1H3
InChIKeyIOACUXYDVGYCSU-UHFFFAOYSA-N
XLogP5.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ly-364947
CID 447966
A-83-01
CID 16218924
3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo(1,2-B)Pyrazole
CID 5287525
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Dihydropyrrolopyrazole, 7d
CID 9946092
6-[1-(2-Fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline
CID 11301185
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
6-bromo-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992708
(R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 10019811
(R)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 16059780

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline (CID 10223896) is 4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline is Cc1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CC(c2ccc(F)cc2)C3)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline?
The InChIKey is IOACUXYDVGYCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4/c1-17-5-4-8-24(30-17)27-26(22-13-14-29-23-7-3-2-6-21(22)23)25-15-19(16-32(25)31-27)18-9-11-20(28)12-10-18/h2-14,19H,15-16H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline?
4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline has a molecular weight of 420.49 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline is sourced from PubChem (CID 10223896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).