N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide

C22H19F2N5O2 — CID 145161808

IUPACN-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide
SMILESCOc1cc2ncc(C)c(N(C(C)=O)c3c(F)cncc3F)c2cc1-c1cnn(C)c1
InChIInChI=1S/C22H19F2N5O2/c1-12-7-26-19-6-20(31-4)15(14-8-27-28(3)11-14)5-16(19)21(12)29(13(2)30)22-17(23)9-25-10-18(22)24/h5-11H,1-4H3
InChIKeyIQIHAFIRIWUVMZ-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.31
Rot. Bonds4

About N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide

N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide (PubChem CID 145161808) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide
PubChem CID145161808
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide
SMILESCOc1cc2ncc(C)c(N(C(C)=O)c3c(F)cncc3F)c2cc1-c1cnn(C)c1
InChIInChI=1S/C22H19F2N5O2/c1-12-7-26-19-6-20(31-4)15(14-8-27-28(3)11-14)5-16(19)21(12)29(13(2)30)22-17(23)9-25-10-18(22)24/h5-11H,1-4H3
InChIKeyIQIHAFIRIWUVMZ-UHFFFAOYSA-N
XLogP4.31
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589435
acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine
CID 145161869
1-[3-fluoro-5-(trideuteriomethoxy)-4-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589373
[5-fluoro-6-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]-3-pyridinyl] hydrogen carbonate
CID 122589385
N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide
CID 138615272
2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid
CID 146225350
methyl (E)-3-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]but-2-enoate
CID 82543689
1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325519
1-(5-ethenyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 145161742
8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 161317294
8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one;1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-1-(3-methoxy-4-pyridinyl)-3-methyl-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 160627704
N-[6-methoxy-4-methyl-2-(1-methylpyrazol-4-yl)quinolin-7-yl]acetamide
CID 169414607

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide (CID 145161808) is N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide is COc1cc2ncc(C)c(N(C(C)=O)c3c(F)cncc3F)c2cc1-c1cnn(C)c1.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide?
The InChIKey is IQIHAFIRIWUVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-12-7-26-19-6-20(31-4)15(14-8-27-28(3)11-14)5-16(19)21(12)29(13(2)30)22-17(23)9-25-10-18(22)24/h5-11H,1-4H3.
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide?
N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide has a molecular weight of 423.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide is sourced from PubChem (CID 145161808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).