N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide

C22H17FN6O3S — CID 127041269

IUPACN-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCn1c(=O)c(S(=O)(=O)Nc2ccc(F)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21
InChIInChI=1S/C22H17FN6O3S/c1-29-20-14(11-19(21(29)30)33(31,32)28-16-4-2-15(23)3-5-16)12-25-22(27-20)26-17-6-7-18-13(10-17)8-9-24-18/h2-12,24,28H,1H3,(H,25,26,27)
InChIKeyLJAOCGMFRQJRAQ-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.49
Rot. Bonds5

About N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide

N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 127041269) has the molecular formula C22H17FN6O3S and a molecular weight of 464.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide
PubChem CID127041269
Molecular FormulaC22H17FN6O3S
Molecular Weight464.48 g/mol
Exact Mass464.11
IUPAC NameN-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCn1c(=O)c(S(=O)(=O)Nc2ccc(F)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21
InChIInChI=1S/C22H17FN6O3S/c1-29-20-14(11-19(21(29)30)33(31,32)28-16-4-2-15(23)3-5-16)12-25-22(27-20)26-17-6-7-18-13(10-17)8-9-24-18/h2-12,24,28H,1H3,(H,25,26,27)
InChIKeyLJAOCGMFRQJRAQ-UHFFFAOYSA-N
XLogP3.49
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide (CID 127041269) is N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide is Cn1c(=O)c(S(=O)(=O)Nc2ccc(F)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21.
What is the InChIKey of N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is LJAOCGMFRQJRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O3S/c1-29-20-14(11-19(21(29)30)33(31,32)28-16-4-2-15(23)3-5-16)12-25-22(27-20)26-17-6-7-18-13(10-17)8-9-24-18/h2-12,24,28H,1H3,(H,25,26,27).
What are the key properties of N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide?
N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 464.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1H-indol-5-ylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 127041269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).