6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

C16H14F2N4O3 — CID 59681430

IUPAC6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CO)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)[nH]c2n1
InChIInChI=1S/C16H14F2N4O3/c1-8(7-23)20-16-19-6-9-4-13(15(24)21-14(9)22-16)25-12-3-2-10(17)5-11(12)18/h2-6,8,23H,7H2,1H3,(H2,19,20,21,22,24)/t8-/m0/s1
InChIKeyLLHUGBAYABUEKT-QMMMGPOBSA-N
MW348.31 g/mol
LogP2.18
Rot. Bonds5

About 6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59681430) has the molecular formula C16H14F2N4O3 and a molecular weight of 348.31 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID59681430
Molecular FormulaC16H14F2N4O3
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Name6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CO)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)[nH]c2n1
InChIInChI=1S/C16H14F2N4O3/c1-8(7-23)20-16-19-6-9-4-13(15(24)21-14(9)22-16)25-12-3-2-10(17)5-11(12)18/h2-6,8,23H,7H2,1H3,(H2,19,20,21,22,24)/t8-/m0/s1
InChIKeyLLHUGBAYABUEKT-QMMMGPOBSA-N
XLogP2.18
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-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)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (CID 59681430) is 6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H](CO)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)[nH]c2n1.
What is the InChIKey of 6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LLHUGBAYABUEKT-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H14F2N4O3/c1-8(7-23)20-16-19-6-9-4-13(15(24)21-14(9)22-16)25-12-3-2-10(17)5-11(12)18/h2-6,8,23H,7H2,1H3,(H2,19,20,21,22,24)/t8-/m0/s1.
What are the key properties of 6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 348.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59681430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).