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

C22H17N5O4S — CID 53252703

IUPAC6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(S(=O)(=O)c2ccc(O)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21
InChIInChI=1S/C22H17N5O4S/c1-27-20-14(11-19(21(27)29)32(30,31)17-5-3-16(28)4-6-17)12-24-22(26-20)25-15-2-7-18-13(10-15)8-9-23-18/h2-12,23,28H,1H3,(H,24,25,26)
InChIKeyFCPZOGCMAQOPBZ-UHFFFAOYSA-N
MW447.48 g/mol
LogP3.09
Rot. Bonds4

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

6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 53252703) has the molecular formula C22H17N5O4S and a molecular weight of 447.48 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID53252703
Molecular FormulaC22H17N5O4S
Molecular Weight447.48 g/mol
Exact Mass447.10
IUPAC Name6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(S(=O)(=O)c2ccc(O)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21
InChIInChI=1S/C22H17N5O4S/c1-27-20-14(11-19(21(27)29)32(30,31)17-5-3-16(28)4-6-17)12-24-22(26-20)25-15-2-7-18-13(10-15)8-9-23-18/h2-12,23,28H,1H3,(H,24,25,26)
InChIKeyFCPZOGCMAQOPBZ-UHFFFAOYSA-N
XLogP3.09
TPSA129.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

CID 53252567
CID 53252567
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CID 53252617
CID 53252617
CID 53253240
CID 53253240
CID 53253241
CID 53253241
CID 67240318
CID 67240318
CID 127038642
CID 127038642
CID 127038643
CID 127038643
CID 127038996
CID 127038996
CID 127038999
CID 127038999
CID 127042194
CID 127042194
CID 127042195
CID 127042195

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 53252703) is 6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(S(=O)(=O)c2ccc(O)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21.
What is the InChIKey of 6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FCPZOGCMAQOPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4S/c1-27-20-14(11-19(21(27)29)32(30,31)17-5-3-16(28)4-6-17)12-24-22(26-20)25-15-2-7-18-13(10-15)8-9-23-18/h2-12,23,28H,1H3,(H,24,25,26).
What are the key properties of 6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 447.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53252703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).