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

C22H20ClFN4 — CID 162502557

IUPAC7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline
SMILESCC(C)CCn1ncc(-c2c(Cl)ccnc2-c2ccc3cccnc3c2)c1F
InChIInChI=1S/C22H20ClFN4/c1-14(2)8-11-28-22(24)17(13-27-28)20-18(23)7-10-26-21(20)16-6-5-15-4-3-9-25-19(15)12-16/h3-7,9-10,12-14H,8,11H2,1-2H3
InChIKeyLVFPTOJSMFNGPC-UHFFFAOYSA-N
MW394.88 g/mol
LogP6.00
Rot. Bonds5

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

7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline (PubChem CID 162502557) has the molecular formula C22H20ClFN4 and a molecular weight of 394.88 g/mol. Its IUPAC name is 7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline
PubChem CID162502557
Molecular FormulaC22H20ClFN4
Molecular Weight394.88 g/mol
Exact Mass394.14
IUPAC Name7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline
SMILESCC(C)CCn1ncc(-c2c(Cl)ccnc2-c2ccc3cccnc3c2)c1F
InChIInChI=1S/C22H20ClFN4/c1-14(2)8-11-28-22(24)17(13-27-28)20-18(23)7-10-26-21(20)16-6-5-15-4-3-9-25-19(15)12-16/h3-7,9-10,12-14H,8,11H2,1-2H3
InChIKeyLVFPTOJSMFNGPC-UHFFFAOYSA-N
XLogP6.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline with MolForge

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Related Compounds

7-[3-[5-fluoro-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]quinoline
CID 162502545
7-(2-chloro-5-methylpyrimidin-4-yl)quinoline
CID 81221493
5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
CID 81221984
1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid
CID 153386364
7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline
CID 162502519
7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
CID 137374115
7-(6-chloro-5-methylpyrimidin-4-yl)quinoline
CID 77230233
5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 137373540
2-chloro-5-quinolin-7-ylaniline
CID 81224358
7-(4-chloro-2-pyridinyl)quinoline
CID 102825160
5-fluoro-2-quinolin-7-ylaniline
CID 107626733
7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline
CID 137374004

Frequently Asked Questions

What is the IUPAC name of 7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline?
The IUPAC name of 7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline (CID 162502557) is 7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline.
What is the SMILES notation for 7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline?
The canonical SMILES for 7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline is CC(C)CCn1ncc(-c2c(Cl)ccnc2-c2ccc3cccnc3c2)c1F.
What is the InChIKey of 7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline?
The InChIKey is LVFPTOJSMFNGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4/c1-14(2)8-11-28-22(24)17(13-27-28)20-18(23)7-10-26-21(20)16-6-5-15-4-3-9-25-19(15)12-16/h3-7,9-10,12-14H,8,11H2,1-2H3.
What are the key properties of 7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline?
7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline has a molecular weight of 394.88 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline is sourced from PubChem (CID 162502557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).