6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C23H24F2N4O5S — CID 52937239

IUPAC6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc2n1C1CCS(=O)(=O)CC1
InChIInChI=1S/C23H24F2N4O5S/c24-15-1-2-19(18(25)12-15)34-20-11-14-13-26-23(27-16-3-7-33-8-4-16)28-21(14)29(22(20)30)17-5-9-35(31,32)10-6-17/h1-2,11-13,16-17H,3-10H2,(H,26,27,28)
InChIKeyNTUGSSWCMOUDCK-UHFFFAOYSA-N
MW506.53 g/mol
LogP3.20
Rot. Bonds5

About 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 52937239) has the molecular formula C23H24F2N4O5S and a molecular weight of 506.53 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID52937239
Molecular FormulaC23H24F2N4O5S
Molecular Weight506.53 g/mol
Exact Mass506.14
IUPAC Name6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc2n1C1CCS(=O)(=O)CC1
InChIInChI=1S/C23H24F2N4O5S/c24-15-1-2-19(18(25)12-15)34-20-11-14-13-26-23(27-16-3-7-33-8-4-16)28-21(14)29(22(20)30)17-5-9-35(31,32)10-6-17/h1-2,11-13,16-17H,3-10H2,(H,26,27,28)
InChIKeyNTUGSSWCMOUDCK-UHFFFAOYSA-N
XLogP3.20
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 52937239) is 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is O=c1c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc2n1C1CCS(=O)(=O)CC1.
What is the InChIKey of 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NTUGSSWCMOUDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O5S/c24-15-1-2-19(18(25)12-15)34-20-11-14-13-26-23(27-16-3-7-33-8-4-16)28-21(14)29(22(20)30)17-5-9-35(31,32)10-6-17/h1-2,11-13,16-17H,3-10H2,(H,26,27,28).
What are the key properties of 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 506.53 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-8-(1,1-dioxothian-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 52937239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).