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

C27H21FN4 — CID 10159112

IUPAC6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccc(-c5ccc(F)cc5)cc24)CCC3)n1
InChIInChI=1S/C27H21FN4/c1-17-4-2-5-24(30-17)27-26(25-6-3-15-32(25)31-27)21-13-14-29-23-12-9-19(16-22(21)23)18-7-10-20(28)11-8-18/h2,4-5,7-14,16H,3,6,15H2,1H3
InChIKeyYBXYYSXBUBLDJT-UHFFFAOYSA-N
MW420.49 g/mol
LogP6.22
Rot. Bonds3

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

6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline (PubChem CID 10159112) has the molecular formula C27H21FN4 and a molecular weight of 420.49 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
PubChem CID10159112
Molecular FormulaC27H21FN4
Molecular Weight420.49 g/mol
Exact Mass420.18
IUPAC Name6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccc(-c5ccc(F)cc5)cc24)CCC3)n1
InChIInChI=1S/C27H21FN4/c1-17-4-2-5-24(30-17)27-26(25-6-3-15-32(25)31-27)21-13-14-29-23-12-9-19(16-22(21)23)18-7-10-20(28)11-8-18/h2,4-5,7-14,16H,3,6,15H2,1H3
InChIKeyYBXYYSXBUBLDJT-UHFFFAOYSA-N
XLogP6.22
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 ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline?
The IUPAC name of 6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline (CID 10159112) is 6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline?
The canonical SMILES for 6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline is Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(-c5ccc(F)cc5)cc24)CCC3)n1.
What is the InChIKey of 6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline?
The InChIKey is YBXYYSXBUBLDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4/c1-17-4-2-5-24(30-17)27-26(25-6-3-15-32(25)31-27)21-13-14-29-23-12-9-19(16-22(21)23)18-7-10-20(28)11-8-18/h2,4-5,7-14,16H,3,6,15H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline?
6-(4-fluorophenyl)-4-[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 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline is sourced from PubChem (CID 10159112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).