1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one

C117H129Cl8F2N17O18 — CID 159629906

About 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one

1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one (PubChem CID 159629906) has the molecular formula C117H129Cl8F2N17O18 and a molecular weight of 2383.04 g/mol. Its IUPAC name is 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one.

Molecular Properties

• Compound Name: 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
• PubChem CID: 159629906
• Molecular Formula: C117H129Cl8F2N17O18
• Molecular Weight: 2383.04 g/mol
• Exact Mass: 2377.72
• IUPAC Name: 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
• SMILES: C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(NC3CCC(F)(F)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(NC3CCOC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(NC3CCOCC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(NCC3CCN(C)CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
• InChI: InChI=1S/C31H37Cl2N5O4.C29H30Cl2F2N4O4.C29H32Cl2N4O5.C28H30Cl2N4O5/c1-5-21(39)10-20-16-42-17-24(20)36-27-12-22-19(15-34-27)11-23(28-29(32)25(40-3)13-26(41-4)30(28)33)37-31(22)35-14-18-6-8-38(2)9-7-18;1-4-18(38)7-16-13-41-14-21(16)36-24-9-19-15(12-34-24)8-20(37-28(19)35-17-5-6-29(32,33)11-17)25-26(30)22(39-2)10-23(40-3)27(25)31;1-4-19(36)9-17-14-40-15-22(17)34-25-11-20-16(13-32-25)10-21(35-29(20)33-18-5-7-39-8-6-18)26-27(30)23(37-2)12-24(38-3)28(26)31;1-4-18(35)7-16-12-39-14-21(16)33-24-9-19-15(11-31-24)8-20(34-28(19)32-17-5-6-38-13-17)25-26(29)22(36-2)10-23(37-3)27(25)30/h5,11-13,15,18,20,24H,1,6-10,14,16-17H2,2-4H3,(H,34,36)(H,35,37);4,8-10,12,16-17,21H,1,5-7,11,13-14H2,2-3H3,(H,34,36)(H,35,37);4,10-13,17-18,22H,1,5-9,14-15H2,2-3H3,(H,32,34)(H,33,35);4,8-11,16-17,21H,1,5-7,12-14H2,2-3H3,(H,31,33)(H,32,34)/t20-,24+;16-,17?,21+;17-,22+;16-,17?,21+/m0000/s1
• InChIKey: MOZGGKINSUPMKF-CTOPRQOXSA-N
• XLogP: 23.92
• TPSA: 400.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 41
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.04
LogP ≤ 5	23.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one?

The IUPAC name of 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one (CID 159629906) is 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one.

What is the SMILES notation for 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one?

The canonical SMILES for 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one is C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(NC3CCC(F)(F)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(NC3CCOC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(NC3CCOCC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1COC[C@H]1Nc1cc2c(NCC3CCN(C)CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.

What is the InChIKey of 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one?

The InChIKey is MOZGGKINSUPMKF-CTOPRQOXSA-N. The full InChI is InChI=1S/C31H37Cl2N5O4.C29H30Cl2F2N4O4.C29H32Cl2N4O5.C28H30Cl2N4O5/c1-5-21(39)10-20-16-42-17-24(20)36-27-12-22-19(15-34-27)11-23(28-29(32)25(40-3)13-26(41-4)30(28)33)37-31(22)35-14-18-6-8-38(2)9-7-18;1-4-18(38)7-16-13-41-14-21(16)36-24-9-19-15(12-34-24)8-20(37-28(19)35-17-5-6-29(32,33)11-17)25-26(30)22(39-2)10-23(40-3)27(25)31;1-4-19(36)9-17-14-40-15-22(17)34-25-11-20-16(13-32-25)10-21(35-29(20)33-18-5-7-39-8-6-18)26-27(30)23(37-2)12-24(38-3)28(26)31;1-4-18(35)7-16-12-39-14-21(16)33-24-9-19-15(11-31-24)8-20(34-28(19)32-17-5-6-38-13-17)25-26(29)22(36-2)10-23(37-3)27(25)30/h5,11-13,15,18,20,24H,1,6-10,14,16-17H2,2-4H3,(H,34,36)(H,35,37);4,8-10,12,16-17,21H,1,5-7,11,13-14H2,2-3H3,(H,34,36)(H,35,37);4,10-13,17-18,22H,1,5-9,14-15H2,2-3H3,(H,32,34)(H,33,35);4,8-11,16-17,21H,1,5-7,12-14H2,2-3H3,(H,31,33)(H,32,34)/t20-,24+;16-,17?,21+;17-,22+;16-,17?,21+/m0000/s1.

What are the key properties of 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one?

1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one has a molecular weight of 2383.04 g/mol, XLogP of 23.92, 41 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(3,3-difluorocyclopentyl)amino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpiperidin-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxan-4-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one is sourced from PubChem (CID 159629906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).