6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one

C24H19F2N5O3S — CID 127038643

IUPAC6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21
InChIInChI=1S/C24H19F2N5O3S/c1-2-9-31-22-15(11-21(23(31)32)35(33,34)20-6-3-16(25)12-18(20)26)13-28-24(30-22)29-17-4-5-19-14(10-17)7-8-27-19/h3-8,10-13,27H,2,9H2,1H3,(H,28,29,30)
InChIKeyBWMKJFGJMZSIMW-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.54
Rot. Bonds6

About 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one

6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 127038643) has the molecular formula C24H19F2N5O3S and a molecular weight of 495.51 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one
PubChem CID127038643
Molecular FormulaC24H19F2N5O3S
Molecular Weight495.51 g/mol
Exact Mass495.12
IUPAC Name6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21
InChIInChI=1S/C24H19F2N5O3S/c1-2-9-31-22-15(11-21(23(31)32)35(33,34)20-6-3-16(25)12-18(20)26)13-28-24(30-22)29-17-4-5-19-14(10-17)7-8-27-19/h3-8,10-13,27H,2,9H2,1H3,(H,28,29,30)
InChIKeyBWMKJFGJMZSIMW-UHFFFAOYSA-N
XLogP4.54
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(4-fluorophenyl)sulfanyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 70895719
N-(2-{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-benzylamino}-ethyl)-acetamide
CID 18382946
N-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 50943670
2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one
CID 53252567
6-(benzenesulfonyl)-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53252570
6-(benzenesulfonyl)-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 53252571
2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53252617
6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53252703
6-(4-chlorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53253239
6-(4-fluorophenyl)sulfonyl-2-(1H-indol-4-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53253240
6-(4-fluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53253241
6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 53253242

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one (CID 127038643) is 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one is CCCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BWMKJFGJMZSIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3S/c1-2-9-31-22-15(11-21(23(31)32)35(33,34)20-6-3-16(25)12-18(20)26)13-28-24(30-22)29-17-4-5-19-14(10-17)7-8-27-19/h3-8,10-13,27H,2,9H2,1H3,(H,28,29,30).
What are the key properties of 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 495.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-propylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127038643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).