2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride

C73H81Cl7N14O14 — CID 157370097

About 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride

2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride (PubChem CID 157370097) has the molecular formula C73H81Cl7N14O14 and a molecular weight of 1626.71 g/mol. Its IUPAC name is 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride
• PubChem CID: 157370097
• Molecular Formula: C73H81Cl7N14O14
• Molecular Weight: 1626.71 g/mol
• Exact Mass: 1622.39
• IUPAC Name: 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[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(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C(C)C)c2n1.COc1cc(OC)c(Cl)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4C)nc3n(C(C)C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4N)nc3n(C(C)C)c2=O)c1Cl
• InChI: InChI=1S/C25H27Cl2N5O5.C23H26Cl2N4O4.C22H25Cl2N5O4.C3H3ClO/c1-6-19(33)29-15-10-37-11-16(15)30-25-28-9-13-7-14(24(34)32(12(2)3)23(13)31-25)20-21(26)17(35-4)8-18(36-5)22(20)27;1-11(2)29-21-13(8-26-23(28-21)27-15-10-33-9-12(15)3)6-14(22(29)30)18-19(24)16(31-4)7-17(32-5)20(18)25;1-10(2)29-20-11(7-26-22(28-20)27-14-9-33-8-13(14)25)5-12(21(29)30)17-18(23)15(31-3)6-16(32-4)19(17)24;1-2-3(4)5/h6-9,12,15-16H,1,10-11H2,2-5H3,(H,29,33)(H,28,30,31);6-8,11-12,15H,9-10H2,1-5H3,(H,26,27,28);5-7,10,13-14H,8-9,25H2,1-4H3,(H,26,27,28);2H,1H2/t15-,16+;12-,15+;13-,14+;/m000./s1
• InChIKey: BJQSNACVUJRCHV-ZVMKXSINSA-N
• XLogP: 13.09
• TPSA: 334.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1626.71
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

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 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride?

The IUPAC name of 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride (CID 157370097) is 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride.

What is the SMILES notation for 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride?

The canonical SMILES for 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[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(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C(C)C)c2n1.COc1cc(OC)c(Cl)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4C)nc3n(C(C)C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4N)nc3n(C(C)C)c2=O)c1Cl.

What is the InChIKey of 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride?

The InChIKey is BJQSNACVUJRCHV-ZVMKXSINSA-N. The full InChI is InChI=1S/C25H27Cl2N5O5.C23H26Cl2N4O4.C22H25Cl2N5O4.C3H3ClO/c1-6-19(33)29-15-10-37-11-16(15)30-25-28-9-13-7-14(24(34)32(12(2)3)23(13)31-25)20-21(26)17(35-4)8-18(36-5)22(20)27;1-11(2)29-21-13(8-26-23(28-21)27-15-10-33-9-12(15)3)6-14(22(29)30)18-19(24)16(31-4)7-17(32-5)20(18)25;1-10(2)29-20-11(7-26-22(28-20)27-14-9-33-8-13(14)25)5-12(21(29)30)17-18(23)15(31-3)6-16(32-4)19(17)24;1-2-3(4)5/h6-9,12,15-16H,1,10-11H2,2-5H3,(H,29,33)(H,28,30,31);6-8,11-12,15H,9-10H2,1-5H3,(H,26,27,28);5-7,10,13-14H,8-9,25H2,1-4H3,(H,26,27,28);2H,1H2/t15-,16+;12-,15+;13-,14+;/m000./s1.

What are the key properties of 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride?

2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride has a molecular weight of 1626.71 g/mol, XLogP of 13.09, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride is sourced from PubChem (CID 157370097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).