tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride

C90H96ClF8N17O20S2 — CID 159852324

About tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride

tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride (PubChem CID 159852324) has the molecular formula C90H96ClF8N17O20S2 and a molecular weight of 1987.43 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride
• PubChem CID: 159852324
• Molecular Formula: C90H96ClF8N17O20S2
• Molecular Weight: 1987.43 g/mol
• Exact Mass: 1985.60
• IUPAC Name: tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(F)c(OC)cc(OC)c3F)c(=O)n(C)c2n1.CC(C)(C)OC(=O)N[C@H]1COC[C@H]1N.COc1cc(OC)c(F)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4C)nc3n(C)c2=O)c1F.COc1cc(OC)c(F)c(-c2cc3cnc(S(C)=O)nc3n(C)c2=O)c1F.COc1cc(OC)c(F)c(-c2cc3cnc(SC)nc3n(C)c2=O)c1F
• InChI: InChI=1S/C23H23F2N5O5.C21H22F2N4O4.C17H15F2N3O4S.C17H15F2N3O3S.C9H18N2O3.C3H3ClO/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25;1-10-8-31-9-13(10)25-21-24-7-11-5-12(20(28)27(2)19(11)26-21)16-17(22)14(29-3)6-15(30-4)18(16)23;1-22-15-8(7-20-17(21-15)27(4)24)5-9(16(22)23)12-13(18)10(25-2)6-11(26-3)14(12)19;1-22-15-8(7-20-17(21-15)26-4)5-9(16(22)23)12-13(18)10(24-2)6-11(25-3)14(12)19;1-9(2,3)14-8(12)11-7-5-13-4-6(7)10;1-2-3(4)5/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29);5-7,10,13H,8-9H2,1-4H3,(H,24,25,26);5-7H,1-4H3;5-7H,1-4H3;6-7H,4-5,10H2,1-3H3,(H,11,12);2H,1H2/t13-,14+;10-,13+;;;6-,7+;/m00..1./s1
• InChIKey: NQCBZNPTGKENSQ-VJEJDIPVSA-N
• XLogP: 10.73
• TPSA: 444.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1987.43
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride?

The IUPAC name of tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride (CID 159852324) is tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride.

What is the SMILES notation for tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride?

The canonical SMILES for tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(F)c(OC)cc(OC)c3F)c(=O)n(C)c2n1.CC(C)(C)OC(=O)N[C@H]1COC[C@H]1N.COc1cc(OC)c(F)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4C)nc3n(C)c2=O)c1F.COc1cc(OC)c(F)c(-c2cc3cnc(S(C)=O)nc3n(C)c2=O)c1F.COc1cc(OC)c(F)c(-c2cc3cnc(SC)nc3n(C)c2=O)c1F.

What is the InChIKey of tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride?

The InChIKey is NQCBZNPTGKENSQ-VJEJDIPVSA-N. The full InChI is InChI=1S/C23H23F2N5O5.C21H22F2N4O4.C17H15F2N3O4S.C17H15F2N3O3S.C9H18N2O3.C3H3ClO/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25;1-10-8-31-9-13(10)25-21-24-7-11-5-12(20(28)27(2)19(11)26-21)16-17(22)14(29-3)6-15(30-4)18(16)23;1-22-15-8(7-20-17(21-15)27(4)24)5-9(16(22)23)12-13(18)10(25-2)6-11(26-3)14(12)19;1-22-15-8(7-20-17(21-15)26-4)5-9(16(22)23)12-13(18)10(24-2)6-11(25-3)14(12)19;1-9(2,3)14-8(12)11-7-5-13-4-6(7)10;1-2-3(4)5/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29);5-7,10,13H,8-9H2,1-4H3,(H,24,25,26);5-7H,1-4H3;5-7H,1-4H3;6-7H,4-5,10H2,1-3H3,(H,11,12);2H,1H2/t13-,14+;10-,13+;;;6-,7+;/m00..1./s1.

What are the key properties of tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride?

tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride has a molecular weight of 1987.43 g/mol, XLogP of 10.73, 22 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride is sourced from PubChem (CID 159852324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).