2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one

C22H16F4N4O3 — CID 10049887

IUPAC2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2c(-c3ccc(F)cc3)nc(NC(CO)CO)nc2n1-c1c(F)cc(F)cc1F
InChIInChI=1S/C22H16F4N4O3/c23-12-3-1-11(2-4-12)19-15-5-6-18(33)30(20-16(25)7-13(24)8-17(20)26)21(15)29-22(28-19)27-14(9-31)10-32/h1-8,14,31-32H,9-10H2,(H,27,28,29)
InChIKeyBHLGLVOFWRMAQD-UHFFFAOYSA-N
MW460.39 g/mol
LogP2.77
Rot. Bonds6

About 2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one

2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 10049887) has the molecular formula C22H16F4N4O3 and a molecular weight of 460.39 g/mol. Its IUPAC name is 2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID10049887
Molecular FormulaC22H16F4N4O3
Molecular Weight460.39 g/mol
Exact Mass460.12
IUPAC Name2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2c(-c3ccc(F)cc3)nc(NC(CO)CO)nc2n1-c1c(F)cc(F)cc1F
InChIInChI=1S/C22H16F4N4O3/c23-12-3-1-11(2-4-12)19-15-5-6-18(33)30(20-16(25)7-13(24)8-17(20)26)21(15)29-22(28-19)27-14(9-31)10-32/h1-8,14,31-32H,9-10H2,(H,27,28,29)
InChIKeyBHLGLVOFWRMAQD-UHFFFAOYSA-N
XLogP2.77
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.39
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one (CID 10049887) is 2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2c(-c3ccc(F)cc3)nc(NC(CO)CO)nc2n1-c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BHLGLVOFWRMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O3/c23-12-3-1-11(2-4-12)19-15-5-6-18(33)30(20-16(25)7-13(24)8-17(20)26)21(15)29-22(28-19)27-14(9-31)10-32/h1-8,14,31-32H,9-10H2,(H,27,28,29).
What are the key properties of 2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 460.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10049887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).