N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide

C116H126Cl8N20O18 — CID 167671085

About N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide

N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide (PubChem CID 167671085) has the molecular formula C116H126Cl8N20O18 and a molecular weight of 2372.03 g/mol. Its IUPAC name is N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
• PubChem CID: 167671085
• Molecular Formula: C116H126Cl8N20O18
• Molecular Weight: 2372.03 g/mol
• Exact Mass: 2366.71
• IUPAC Name: N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
• SMILES: C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC4(CCCC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC4(CCOC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC4(CCOCC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CCCC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
• InChI: InChI=1S/C30H33Cl2N5O5.C30H33Cl2N5O4.C29H31Cl2N5O5.C27H29Cl2N5O4/c1-4-25(38)35-21-14-42-13-20(21)34-24-10-18-17(12-33-24)9-19(26-27(31)22(39-2)11-23(40-3)28(26)32)36-29(18)37-15-30(16-37)5-7-41-8-6-30;1-4-25(38)35-21-14-41-13-20(21)34-24-10-18-17(12-33-24)9-19(26-27(31)22(39-2)11-23(40-3)28(26)32)36-29(18)37-15-30(16-37)7-5-6-8-30;1-4-24(37)34-20-12-41-11-19(20)33-23-8-17-16(10-32-23)7-18(25-26(30)21(38-2)9-22(39-3)27(25)31)35-28(17)36-13-29(14-36)5-6-40-15-29;1-4-23(35)32-19-14-38-13-18(19)31-22-10-16-15(12-30-22)9-17(33-27(16)34-7-5-6-8-34)24-25(28)20(36-2)11-21(37-3)26(24)29/h4,9-12,20-21H,1,5-8,13-16H2,2-3H3,(H,33,34)(H,35,38);4,9-12,20-21H,1,5-8,13-16H2,2-3H3,(H,33,34)(H,35,38);4,7-10,19-20H,1,5-6,11-15H2,2-3H3,(H,32,33)(H,34,37);4,9-12,18-19H,1,5-8,13-14H2,2-3H3,(H,30,31)(H,32,35)/t2*20-,21+;19-,20+;18-,19+/m1111/s1
• InChIKey: UCUBWNFDDYDTNW-GSQVUXNNSA-N
• XLogP: 19.23
• TPSA: 409.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2372.03
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

The IUPAC name of N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide (CID 167671085) is N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide.

What is the SMILES notation for N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

The canonical SMILES for N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide is C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC4(CCCC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC4(CCOC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CC4(CCOCC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N3CCCC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.

What is the InChIKey of N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

The InChIKey is UCUBWNFDDYDTNW-GSQVUXNNSA-N. The full InChI is InChI=1S/C30H33Cl2N5O5.C30H33Cl2N5O4.C29H31Cl2N5O5.C27H29Cl2N5O4/c1-4-25(38)35-21-14-42-13-20(21)34-24-10-18-17(12-33-24)9-19(26-27(31)22(39-2)11-23(40-3)28(26)32)36-29(18)37-15-30(16-37)5-7-41-8-6-30;1-4-25(38)35-21-14-41-13-20(21)34-24-10-18-17(12-33-24)9-19(26-27(31)22(39-2)11-23(40-3)28(26)32)36-29(18)37-15-30(16-37)7-5-6-8-30;1-4-24(37)34-20-12-41-11-19(20)33-23-8-17-16(10-32-23)7-18(25-26(30)21(38-2)9-22(39-3)27(25)31)35-28(17)36-13-29(14-36)5-6-40-15-29;1-4-23(35)32-19-14-38-13-18(19)31-22-10-16-15(12-30-22)9-17(33-27(16)34-7-5-6-8-34)24-25(28)20(36-2)11-21(37-3)26(24)29/h4,9-12,20-21H,1,5-8,13-16H2,2-3H3,(H,33,34)(H,35,38);4,9-12,20-21H,1,5-8,13-16H2,2-3H3,(H,33,34)(H,35,38);4,7-10,19-20H,1,5-6,11-15H2,2-3H3,(H,32,33)(H,34,37);4,9-12,18-19H,1,5-8,13-14H2,2-3H3,(H,30,31)(H,32,35)/t2*20-,21+;19-,20+;18-,19+/m1111/s1.

What are the key properties of N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide has a molecular weight of 2372.03 g/mol, XLogP of 19.23, 32 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 167671085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).