3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline

C24H22F2N4 — CID 137374262

IUPAC3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
SMILESCc1ccc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccc3cc(F)cnc3c2)n1
InChIInChI=1S/C24H22F2N4/c1-16-4-7-21(19-12-28-30(14-19)15-24(26)8-2-3-9-24)23(29-16)18-6-5-17-10-20(25)13-27-22(17)11-18/h4-7,10-14H,2-3,8-9,15H2,1H3
InChIKeyIJNPTBSALZGDRW-UHFFFAOYSA-N
MW404.46 g/mol
LogP5.89
Rot. Bonds4

About 3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline

3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline (PubChem CID 137374262) has the molecular formula C24H22F2N4 and a molecular weight of 404.46 g/mol. Its IUPAC name is 3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline.

Molecular Properties

Compound Name3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
PubChem CID137374262
Molecular FormulaC24H22F2N4
Molecular Weight404.46 g/mol
Exact Mass404.18
IUPAC Name3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
SMILESCc1ccc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccc3cc(F)cnc3c2)n1
InChIInChI=1S/C24H22F2N4/c1-16-4-7-21(19-12-28-30(14-19)15-24(26)8-2-3-9-24)23(29-16)18-6-5-17-10-20(25)13-27-22(17)11-18/h4-7,10-14H,2-3,8-9,15H2,1H3
InChIKeyIJNPTBSALZGDRW-UHFFFAOYSA-N
XLogP5.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The IUPAC name of 3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline (CID 137374262) is 3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline.
What is the SMILES notation for 3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The canonical SMILES for 3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline is Cc1ccc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccc3cc(F)cnc3c2)n1.
What is the InChIKey of 3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The InChIKey is IJNPTBSALZGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4/c1-16-4-7-21(19-12-28-30(14-19)15-24(26)8-2-3-9-24)23(29-16)18-6-5-17-10-20(25)13-27-22(17)11-18/h4-7,10-14H,2-3,8-9,15H2,1H3.
What are the key properties of 3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline has a molecular weight of 404.46 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline is sourced from PubChem (CID 137374262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).