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

C21H22F2N4O4 — CID 11259005

IUPAC6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc2n1CCCO
InChIInChI=1S/C21H22F2N4O4/c22-14-2-3-17(16(23)11-14)31-18-10-13-12-24-21(25-15-4-8-30-9-5-15)26-19(13)27(20(18)29)6-1-7-28/h2-3,10-12,15,28H,1,4-9H2,(H,24,25,26)
InChIKeyQGGZWYGKNAFHCN-UHFFFAOYSA-N
MW432.43 g/mol
LogP2.84
Rot. Bonds7

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

6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 11259005) has the molecular formula C21H22F2N4O4 and a molecular weight of 432.43 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID11259005
Molecular FormulaC21H22F2N4O4
Molecular Weight432.43 g/mol
Exact Mass432.16
IUPAC Name6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc2n1CCCO
InChIInChI=1S/C21H22F2N4O4/c22-14-2-3-17(16(23)11-14)31-18-10-13-12-24-21(25-15-4-8-30-9-5-15)26-19(13)27(20(18)29)6-1-7-28/h2-3,10-12,15,28H,1,4-9H2,(H,24,25,26)
InChIKeyQGGZWYGKNAFHCN-UHFFFAOYSA-N
XLogP2.84
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

R-1487
CID 11406590
Pamapimod
CID 16220188
6-(2,4-Difluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one hydrochloride
CID 54580957
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57
CID 5330243
8-Methyl-6-Phenoxy-2-(Tetrahydro-2h-Pyran-4-Ylamino)pyrido[2,3-D]pyrimidin-7(8h)-One
CID 23434577
6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
CID 44517630
6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one
CID 44517631
6-(2,4-Difluorophenoxy)-8-ethyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
CID 23434538
6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
CID 44517629
6-(2,4-Difluorophenoxy)-8-Methyl-2-{[(1r)-1-Methyl-2-(2h-Tetrazol-2-Yl)ethyl]amino}pyrido[2,3-D]pyrimidin-7(8h)-One
CID 44517632
6-(2,4-Difluorophenoxy)-8-Methyl-2-{[(1s)-1-Methyl-2-(2h-Tetrazol-2-Yl)ethyl]amino}pyrido[2,3-D]pyrimidin-7(8h)-One
CID 44517633
2-(1-Acetyl-piperidin-4-ylamino)-6-(2,4-difluorophenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 52936613

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 11259005) is 6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is O=c1c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc2n1CCCO.
What is the InChIKey of 6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QGGZWYGKNAFHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O4/c22-14-2-3-17(16(23)11-14)31-18-10-13-12-24-21(25-15-4-8-30-9-5-15)26-19(13)27(20(18)29)6-1-7-28/h2-3,10-12,15,28H,1,4-9H2,(H,24,25,26).
What are the key properties of 6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 432.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-8-(3-hydroxypropyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11259005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).