7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline

C24H22F2N4 — CID 137374095

IUPAC7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
SMILESCc1ccc(-c2cnn(CC3(F)CCCC3)c2F)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C24H22F2N4/c1-16-6-9-19(20-14-28-30(23(20)25)15-24(26)10-2-3-11-24)22(29-16)18-8-7-17-5-4-12-27-21(17)13-18/h4-9,12-14H,2-3,10-11,15H2,1H3
InChIKeyRHGKYEUYSMWASJ-UHFFFAOYSA-N
MW404.46 g/mol
LogP5.89
Rot. Bonds4

About 7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline

7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline (PubChem CID 137374095) has the molecular formula C24H22F2N4 and a molecular weight of 404.46 g/mol. Its IUPAC name is 7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline.

Molecular Properties

Compound Name7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
PubChem CID137374095
Molecular FormulaC24H22F2N4
Molecular Weight404.46 g/mol
Exact Mass404.18
IUPAC Name7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
SMILESCc1ccc(-c2cnn(CC3(F)CCCC3)c2F)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C24H22F2N4/c1-16-6-9-19(20-14-28-30(23(20)25)15-24(26)10-2-3-11-24)22(29-16)18-8-7-17-5-4-12-27-21(17)13-18/h4-9,12-14H,2-3,10-11,15H2,1H3
InChIKeyRHGKYEUYSMWASJ-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 7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The IUPAC name of 7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline (CID 137374095) is 7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline.
What is the SMILES notation for 7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The canonical SMILES for 7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline is Cc1ccc(-c2cnn(CC3(F)CCCC3)c2F)c(-c2ccc3cccnc3c2)n1.
What is the InChIKey of 7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The InChIKey is RHGKYEUYSMWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4/c1-16-6-9-19(20-14-28-30(23(20)25)15-24(26)10-2-3-11-24)22(29-16)18-8-7-17-5-4-12-27-21(17)13-18/h4-9,12-14H,2-3,10-11,15H2,1H3.
What are the key properties of 7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
7-[3-[5-fluoro-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 7-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline is sourced from PubChem (CID 137374095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).