2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide

C20H17FN6O4S — CID 59145733

IUPAC2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2cc3c(cc2F)C(=O)CC3)nc1Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C20H17FN6O4S/c21-13-8-11-10(5-6-16(11)28)7-15(13)26-20-24-9-12(18(22)29)19(27-20)25-14-3-1-2-4-17(14)32(23,30)31/h1-4,7-9H,5-6H2,(H2,22,29)(H2,23,30,31)(H2,24,25,26,27)
InChIKeyVFBNNYCZDJWKQS-UHFFFAOYSA-N
MW456.46 g/mol
LogP1.98
Rot. Bonds6

About 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide

2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide (PubChem CID 59145733) has the molecular formula C20H17FN6O4S and a molecular weight of 456.46 g/mol. Its IUPAC name is 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
PubChem CID59145733
Molecular FormulaC20H17FN6O4S
Molecular Weight456.46 g/mol
Exact Mass456.10
IUPAC Name2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2cc3c(cc2F)C(=O)CC3)nc1Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C20H17FN6O4S/c21-13-8-11-10(5-6-16(11)28)7-15(13)26-20-24-9-12(18(22)29)19(27-20)25-14-3-1-2-4-17(14)32(23,30)31/h1-4,7-9H,5-6H2,(H2,22,29)(H2,23,30,31)(H2,24,25,26,27)
InChIKeyVFBNNYCZDJWKQS-UHFFFAOYSA-N
XLogP1.98
TPSA170.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-[[5-(1-aminoethenyl)-2-[(6-fluoro-3-oxo-1,2-dihydroinden-5-yl)amino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 143612584
2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
CID 59145747
2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
CID 163291295
2-(5-amino-2-fluoroanilino)-4-[2-(methylsulfonylmethylamino)anilino]pyrimidine-5-carboxamide
CID 68533950
2-[2-fluoro-5-(methylcarbamoyl)anilino]-4-[2-(methylsulfonylmethylamino)anilino]pyrimidine-5-carboxamide
CID 68533885
4-[3-(1-aminoethyl)anilino]-2-[(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 163291148
2-[5-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-2-fluoroanilino]-4-[2-[methyl(methylsulfonyl)amino]anilino]pyrimidine-5-carboxamide
CID 59145763
3-[[5-bromo-4-(2-carbamoyl-3-fluoroanilino)pyrimidin-2-yl]amino]-2-methylbenzenesulfonyl chloride
CID 175533419
2-(2,3-difluoro-4-methylanilino)-4-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)amino]pyrimidine-5-carboxamide
CID 163291202
5-fluoro-6-[[5-methyl-4-[2-(2-methylpropylsulfonyl)anilino]pyrimidin-2-yl]amino]-2,3-dihydroisoindol-1-one
CID 163997945
2-[[2-[4-(4-carbamoylphenyl)-2-fluoro-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-N-cyclopropylbenzamide
CID 25265411
2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide
CID 163209589

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide (CID 59145733) is 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2cc3c(cc2F)C(=O)CC3)nc1Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
The InChIKey is VFBNNYCZDJWKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O4S/c21-13-8-11-10(5-6-16(11)28)7-15(13)26-20-24-9-12(18(22)29)19(27-20)25-14-3-1-2-4-17(14)32(23,30)31/h1-4,7-9H,5-6H2,(H2,22,29)(H2,23,30,31)(H2,24,25,26,27).
What are the key properties of 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide has a molecular weight of 456.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 59145733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).