7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline

C23H20F2N4 — CID 137373929

IUPAC7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
SMILESFc1cnc(-c2ccc3cccnc3c2)c(-c2cnn(CC3(F)CCCC3)c2)c1
InChIInChI=1S/C23H20F2N4/c24-19-11-20(18-12-28-29(14-18)15-23(25)7-1-2-8-23)22(27-13-19)17-6-5-16-4-3-9-26-21(16)10-17/h3-6,9-14H,1-2,7-8,15H2
InChIKeyMWHQEPGBCIZXGL-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.58
Rot. Bonds4

About 7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline

7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline (PubChem CID 137373929) has the molecular formula C23H20F2N4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
PubChem CID137373929
Molecular FormulaC23H20F2N4
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
SMILESFc1cnc(-c2ccc3cccnc3c2)c(-c2cnn(CC3(F)CCCC3)c2)c1
InChIInChI=1S/C23H20F2N4/c24-19-11-20(18-12-28-29(14-18)15-23(25)7-1-2-8-23)22(27-13-19)17-6-5-16-4-3-9-26-21(16)10-17/h3-6,9-14H,1-2,7-8,15H2
InChIKeyMWHQEPGBCIZXGL-UHFFFAOYSA-N
XLogP5.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline?
The IUPAC name of 7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline (CID 137373929) is 7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline.
What is the SMILES notation for 7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline?
The canonical SMILES for 7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline is Fc1cnc(-c2ccc3cccnc3c2)c(-c2cnn(CC3(F)CCCC3)c2)c1.
What is the InChIKey of 7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline?
The InChIKey is MWHQEPGBCIZXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4/c24-19-11-20(18-12-28-29(14-18)15-23(25)7-1-2-8-23)22(27-13-19)17-6-5-16-4-3-9-26-21(16)10-17/h3-6,9-14H,1-2,7-8,15H2.
What are the key properties of 7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline?
7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline has a molecular weight of 390.44 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-fluoro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline is sourced from PubChem (CID 137373929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).