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

C22H17F3N4O2 — CID 10048092

IUPAC8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CO)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccc(F)cc3F)c2n1
InChIInChI=1S/C22H17F3N4O2/c1-12(11-30)26-22-27-20(14-4-2-3-5-16(14)24)15-7-9-19(31)29(21(15)28-22)18-8-6-13(23)10-17(18)25/h2-10,12,30H,11H2,1H3,(H,26,27,28)/t12-/m0/s1
InChIKeyXIDKYJHGKBVRDL-LBPRGKRZSA-N
MW426.40 g/mol
LogP3.66
Rot. Bonds5

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

8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 10048092) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID10048092
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CO)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccc(F)cc3F)c2n1
InChIInChI=1S/C22H17F3N4O2/c1-12(11-30)26-22-27-20(14-4-2-3-5-16(14)24)15-7-9-19(31)29(21(15)28-22)18-8-6-13(23)10-17(18)25/h2-10,12,30H,11H2,1H3,(H,26,27,28)/t12-/m0/s1
InChIKeyXIDKYJHGKBVRDL-LBPRGKRZSA-N
XLogP3.66
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 10048092) is 8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one is C[C@@H](CO)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccc(F)cc3F)c2n1.
What is the InChIKey of 8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XIDKYJHGKBVRDL-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-12(11-30)26-22-27-20(14-4-2-3-5-16(14)24)15-7-9-19(31)29(21(15)28-22)18-8-6-13(23)10-17(18)25/h2-10,12,30H,11H2,1H3,(H,26,27,28)/t12-/m0/s1.
What are the key properties of 8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 426.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10048092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).