5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide

C20H18FN5O4S — CID 10160626

IUPAC5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide
SMILESCC(=O)N1Cc2c(C(N)=O)nn(-c3ccc(F)cc3)c2-c2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C20H18FN5O4S/c1-11(27)25-10-16-18(20(22)28)23-26(14-6-3-12(21)4-7-14)19(16)15-9-13(5-8-17(15)25)24-31(2,29)30/h3-9,24H,10H2,1-2H3,(H2,22,28)
InChIKeyYBNQCLSLTXIWQI-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.02
Rot. Bonds4

About 5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide

5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide (PubChem CID 10160626) has the molecular formula C20H18FN5O4S and a molecular weight of 443.46 g/mol. Its IUPAC name is 5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide
PubChem CID10160626
Molecular FormulaC20H18FN5O4S
Molecular Weight443.46 g/mol
Exact Mass443.11
IUPAC Name5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide
SMILESCC(=O)N1Cc2c(C(N)=O)nn(-c3ccc(F)cc3)c2-c2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C20H18FN5O4S/c1-11(27)25-10-16-18(20(22)28)23-26(14-6-3-12(21)4-7-14)19(16)15-9-13(5-8-17(15)25)24-31(2,29)30/h3-9,24H,10H2,1-2H3,(H2,22,28)
InChIKeyYBNQCLSLTXIWQI-UHFFFAOYSA-N
XLogP2.02
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 9909343
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CID 56963612
N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide
CID 71567009
1-(3-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
CID 71600240
1-(2-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
CID 71600241
1-(4-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
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CID 86578682
N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
CID 86578835
N-[2-[4-(methanesulfonamido)piperidin-1-yl]ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10835246
1-(4-Fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10157806
8-(Methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291478
8-(methanesulfonamido)-1-[4-[(E)-3-(methylamino)-3-oxoprop-1-enyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide?
The IUPAC name of 5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide (CID 10160626) is 5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide.
What is the SMILES notation for 5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide?
The canonical SMILES for 5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide is CC(=O)N1Cc2c(C(N)=O)nn(-c3ccc(F)cc3)c2-c2cc(NS(C)(=O)=O)ccc21.
What is the InChIKey of 5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide?
The InChIKey is YBNQCLSLTXIWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O4S/c1-11(27)25-10-16-18(20(22)28)23-26(14-6-3-12(21)4-7-14)19(16)15-9-13(5-8-17(15)25)24-31(2,29)30/h3-9,24H,10H2,1-2H3,(H2,22,28).
What are the key properties of 5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide?
5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(4-fluorophenyl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide is sourced from PubChem (CID 10160626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).