3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane)

C107H170ClIN16O17 — CID 158115131

About 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane)

3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane) (PubChem CID 158115131) has the molecular formula C107H170ClIN16O17 and a molecular weight of 2114.99 g/mol. Its IUPAC name is 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane).

Molecular Properties

• Compound Name: 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane)
• PubChem CID: 158115131
• Molecular Formula: C107H170ClIN16O17
• Molecular Weight: 2114.99 g/mol
• Exact Mass: 2113.17
• IUPAC Name: 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane)
• SMILES: C=C1CCC1.CCCOCC.CCCOCC.CNC(=O)c1cccc(-c2ccc3c(N)nc(Cl)nc3n2)c1.CNC(=O)c1cccc(-c2ccc3c(N)nc(N4CC5(CCC5)OC[C@@H]4C)nc3n2)c1.C[C@@H](CO)NC(=O)OC(C)(C)C.C[C@@H](COC1(CI)CCC1)NC(=O)OC(C)(C)C.C[C@H]1COC2(CCC2)CN1.C[C@H]1COC2(CCC2)CN1.C[C@H]1COC2(CCC2)CN1C(=O)OC(C)(C)C.O=C1CCC1
• InChI: InChI=1S/C23H26N6O2.C15H12ClN5O.C13H24INO3.C13H23NO3.C8H17NO3.2C8H15NO.2C5H12O.C5H8.C4H6O/c1-14-12-31-23(9-4-10-23)13-29(14)22-27-19(24)17-7-8-18(26-20(17)28-22)15-5-3-6-16(11-15)21(30)25-2;1-18-14(22)9-4-2-3-8(7-9)11-6-5-10-12(17)20-15(16)21-13(10)19-11;1-10(15-11(16)18-12(2,3)4)8-17-13(9-14)6-5-7-13;1-10-8-16-13(6-5-7-13)9-14(10)11(15)17-12(2,3)4;1-6(5-10)9-7(11)12-8(2,3)4;2*1-7-5-10-8(6-9-7)3-2-4-8;2*1-3-5-6-4-2;1-5-3-2-4-5;5-4-2-1-3-4/h3,5-8,11,14H,4,9-10,12-13H2,1-2H3,(H,25,30)(H2,24,26,27,28);2-7H,1H3,(H,18,22)(H2,17,19,20,21);10H,5-9H2,1-4H3,(H,15,16);10H,5-9H2,1-4H3;6,10H,5H2,1-4H3,(H,9,11);2*7,9H,2-6H2,1H3;2*3-5H2,1-2H3;1-4H2;1-3H2/t14-;;2*10-;6-;2*7-;;;;/m0.00000..../s1
• InChIKey: FQXDXYDDGNMKMS-JSUIOYTOSA-N
• XLogP: 18.97
• TPSA: 422.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.99
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane)?

The IUPAC name of 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane) (CID 158115131) is 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane).

What is the SMILES notation for 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane)?

The canonical SMILES for 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane) is C=C1CCC1.CCCOCC.CCCOCC.CNC(=O)c1cccc(-c2ccc3c(N)nc(Cl)nc3n2)c1.CNC(=O)c1cccc(-c2ccc3c(N)nc(N4CC5(CCC5)OC[C@@H]4C)nc3n2)c1.C[C@@H](CO)NC(=O)OC(C)(C)C.C[C@@H](COC1(CI)CCC1)NC(=O)OC(C)(C)C.C[C@H]1COC2(CCC2)CN1.C[C@H]1COC2(CCC2)CN1.C[C@H]1COC2(CCC2)CN1C(=O)OC(C)(C)C.O=C1CCC1.

What is the InChIKey of 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane)?

The InChIKey is FQXDXYDDGNMKMS-JSUIOYTOSA-N. The full InChI is InChI=1S/C23H26N6O2.C15H12ClN5O.C13H24INO3.C13H23NO3.C8H17NO3.2C8H15NO.2C5H12O.C5H8.C4H6O/c1-14-12-31-23(9-4-10-23)13-29(14)22-27-19(24)17-7-8-18(26-20(17)28-22)15-5-3-6-16(11-15)21(30)25-2;1-18-14(22)9-4-2-3-8(7-9)11-6-5-10-12(17)20-15(16)21-13(10)19-11;1-10(15-11(16)18-12(2,3)4)8-17-13(9-14)6-5-7-13;1-10-8-16-13(6-5-7-13)9-14(10)11(15)17-12(2,3)4;1-6(5-10)9-7(11)12-8(2,3)4;2*1-7-5-10-8(6-9-7)3-2-4-8;2*1-3-5-6-4-2;1-5-3-2-4-5;5-4-2-1-3-4/h3,5-8,11,14H,4,9-10,12-13H2,1-2H3,(H,25,30)(H2,24,26,27,28);2-7H,1H3,(H,18,22)(H2,17,19,20,21);10H,5-9H2,1-4H3,(H,15,16);10H,5-9H2,1-4H3;6,10H,5H2,1-4H3,(H,9,11);2*7,9H,2-6H2,1H3;2*3-5H2,1-2H3;1-4H2;1-3H2/t14-;;2*10-;6-;2*7-;;;;/m0.00000..../s1.

What are the key properties of 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane)?

3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane) has a molecular weight of 2114.99 g/mol, XLogP of 18.97, 18 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-amino-2-chloropyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide;3-[4-amino-2-[(7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-(iodomethyl)cyclobutyl]oxypropan-2-yl]carbamate;tert-butyl (7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate;cyclobutanone;bis(1-ethoxypropane);methylidenecyclobutane;bis((7S)-7-methyl-5-oxa-8-azaspiro[3.5]nonane) is sourced from PubChem (CID 158115131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).