7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline

C24H22F2N4 — CID 137374288

IUPAC7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
SMILESCc1ccc(-c2cnn(CC3C[C@@H](F)[C@@H](F)C3)c2)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C24H22F2N4/c1-15-4-7-20(19-12-28-30(14-19)13-16-9-21(25)22(26)10-16)24(29-15)18-6-5-17-3-2-8-27-23(17)11-18/h2-8,11-12,14,16,21-22H,9-10,13H2,1H3/t16?,21-,22+
InChIKeyKLPJVVGCDAMFJF-WKRVNPTQSA-N
MW404.46 g/mol
LogP5.55
Rot. Bonds4

About 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline

7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline (PubChem CID 137374288) has the molecular formula C24H22F2N4 and a molecular weight of 404.46 g/mol. Its IUPAC name is 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline.

Molecular Properties

Compound Name7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
PubChem CID137374288
Molecular FormulaC24H22F2N4
Molecular Weight404.46 g/mol
Exact Mass404.18
IUPAC Name7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
SMILESCc1ccc(-c2cnn(CC3C[C@@H](F)[C@@H](F)C3)c2)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C24H22F2N4/c1-15-4-7-20(19-12-28-30(14-19)13-16-9-21(25)22(26)10-16)24(29-15)18-6-5-17-3-2-8-27-23(17)11-18/h2-8,11-12,14,16,21-22H,9-10,13H2,1H3/t16?,21-,22+
InChIKeyKLPJVVGCDAMFJF-WKRVNPTQSA-N
XLogP5.55
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 ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline with MolForge

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Related Compounds

Ly-364947
CID 447966
Nerispirdine
CID 3081185
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
(3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10850308
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
(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
2-Methyl-5-(4-{2-[3-(1H-pyrazol-1-yl)phenyl]ethyl}-1-piperazinyl)quinoline
CID 49850772

Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The IUPAC name of 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline (CID 137374288) is 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline.
What is the SMILES notation for 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The canonical SMILES for 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline is Cc1ccc(-c2cnn(CC3C[C@@H](F)[C@@H](F)C3)c2)c(-c2ccc3cccnc3c2)n1.
What is the InChIKey of 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The InChIKey is KLPJVVGCDAMFJF-WKRVNPTQSA-N. The full InChI is InChI=1S/C24H22F2N4/c1-15-4-7-20(19-12-28-30(14-19)13-16-9-21(25)22(26)10-16)24(29-15)18-6-5-17-3-2-8-27-23(17)11-18/h2-8,11-12,14,16,21-22H,9-10,13H2,1H3/t16?,21-,22+.
What are the key properties of 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline has a molecular weight of 404.46 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-[[(3R,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline is sourced from PubChem (CID 137374288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).