N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide

C24H25FN6O3 — CID 138615272

IUPACN-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide
SMILESCOc1cc2ncc(N(C)C=O)c(N(C)c3c(F)cncc3OC)c2cc1-c1cn(C)nc1C
InChIInChI=1S/C24H25FN6O3/c1-14-17(12-30(3)28-14)15-7-16-19(8-21(15)33-5)27-10-20(29(2)13-32)23(16)31(4)24-18(25)9-26-11-22(24)34-6/h7-13H,1-6H3
InChIKeySSRLUDUTKFGCPV-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.86
Rot. Bonds7

About N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide

N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide (PubChem CID 138615272) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide
PubChem CID138615272
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC NameN-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide
SMILESCOc1cc2ncc(N(C)C=O)c(N(C)c3c(F)cncc3OC)c2cc1-c1cn(C)nc1C
InChIInChI=1S/C24H25FN6O3/c1-14-17(12-30(3)28-14)15-7-16-19(8-21(15)33-5)27-10-20(29(2)13-32)23(16)31(4)24-18(25)9-26-11-22(24)34-6/h7-13H,1-6H3
InChIKeySSRLUDUTKFGCPV-UHFFFAOYSA-N
XLogP3.86
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-(1,3-dimethylpyrazol-4-yl)-1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 148708079
8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 155160544
N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide
CID 145161808
acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine
CID 145161869
8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 170013527
3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine
CID 166436066
1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589435
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
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
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325522
4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol
CID 169231230
2-(N-[7-(1,3-dimethylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-2-fluoro-3,5-dimethoxyanilino)ethanol
CID 71558732

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide?
The IUPAC name of N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide (CID 138615272) is N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide.
What is the SMILES notation for N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide?
The canonical SMILES for N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide is COc1cc2ncc(N(C)C=O)c(N(C)c3c(F)cncc3OC)c2cc1-c1cn(C)nc1C.
What is the InChIKey of N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide?
The InChIKey is SSRLUDUTKFGCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-14-17(12-30(3)28-14)15-7-16-19(8-21(15)33-5)27-10-20(29(2)13-32)23(16)31(4)24-18(25)9-26-11-22(24)34-6/h7-13H,1-6H3.
What are the key properties of N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide?
N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide has a molecular weight of 464.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide is sourced from PubChem (CID 138615272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).