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

C23H17F2N5O3S — CID 127038642

IUPAC6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21
InChIInChI=1S/C23H17F2N5O3S/c1-2-30-21-14(10-20(22(30)31)34(32,33)19-6-3-15(24)11-17(19)25)12-27-23(29-21)28-16-4-5-18-13(9-16)7-8-26-18/h3-12,26H,2H2,1H3,(H,27,28,29)
InChIKeyJWIANIYVTYOBMM-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.15
Rot. Bonds5

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

6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 127038642) has the molecular formula C23H17F2N5O3S and a molecular weight of 481.48 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID127038642
Molecular FormulaC23H17F2N5O3S
Molecular Weight481.48 g/mol
Exact Mass481.10
IUPAC Name6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21
InChIInChI=1S/C23H17F2N5O3S/c1-2-30-21-14(10-20(22(30)31)34(32,33)19-6-3-15(24)11-17(19)25)12-27-23(29-21)28-16-4-5-18-13(9-16)7-8-26-18/h3-12,26H,2H2,1H3,(H,27,28,29)
InChIKeyJWIANIYVTYOBMM-UHFFFAOYSA-N
XLogP4.15
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 127038642) is 6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JWIANIYVTYOBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O3S/c1-2-30-21-14(10-20(22(30)31)34(32,33)19-6-3-15(24)11-17(19)25)12-27-23(29-21)28-16-4-5-18-13(9-16)7-8-26-18/h3-12,26H,2H2,1H3,(H,27,28,29).
What are the key properties of 6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenyl)sulfonyl-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 481.48 g/mol, XLogP of 4.15, 5 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-8-ethyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127038642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).