7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one

C24H23N5O2S — CID 154963792

IUPAC7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCSc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2
InChIInChI=1S/C24H23N5O2S/c1-4-32-22-12-5-16-15-28(19-8-11-21-17(13-19)14-27(2)26-21)24(30)29(23(16)25-22)18-6-9-20(31-3)10-7-18/h5-14H,4,15H2,1-3H3
InChIKeyQPKIWRBBOFCNTG-UHFFFAOYSA-N
MW445.55 g/mol
LogP5.37
Rot. Bonds5

About 7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one

7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 154963792) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID154963792
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCSc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2
InChIInChI=1S/C24H23N5O2S/c1-4-32-22-12-5-16-15-28(19-8-11-21-17(13-19)14-27(2)26-21)24(30)29(23(16)25-22)18-6-9-20(31-3)10-7-18/h5-14H,4,15H2,1-3H3
InChIKeyQPKIWRBBOFCNTG-UHFFFAOYSA-N
XLogP5.37
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 154963792) is 7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one is CCSc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.
What is the InChIKey of 7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is QPKIWRBBOFCNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-4-32-22-12-5-16-15-28(19-8-11-21-17(13-19)14-27(2)26-21)24(30)29(23(16)25-22)18-6-9-20(31-3)10-7-18/h5-14H,4,15H2,1-3H3.
What are the key properties of 7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 445.55 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 154963792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).