N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide

C108H116Cl4F4N20O16 — CID 167660874

About N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide

N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide (PubChem CID 167660874) has the molecular formula C108H116Cl4F4N20O16 and a molecular weight of 2168.04 g/mol. Its IUPAC name is N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
• PubChem CID: 167660874
• Molecular Formula: C108H116Cl4F4N20O16
• Molecular Weight: 2168.04 g/mol
• Exact Mass: 2164.76
• IUPAC Name: N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
• SMILES: C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(NC3CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(NC3CC3)nc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N[C@@H](C)C3CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N[C@@H](C)C3CC3)nc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1
• InChI: InChI=1S/C28H31Cl2N5O4.C28H31F2N5O4.C26H27Cl2N5O4.C26H27F2N5O4/c2*1-5-24(36)34-20-13-39-12-19(20)33-23-9-17-16(11-31-23)8-18(35-28(17)32-14(2)15-6-7-15)25-26(29)21(37-3)10-22(38-4)27(25)30;2*1-4-22(34)32-18-12-37-11-17(18)31-21-8-15-13(10-29-21)7-16(33-26(15)30-14-5-6-14)23-24(27)19(35-2)9-20(36-3)25(23)28/h2*5,8-11,14-15,19-20H,1,6-7,12-13H2,2-4H3,(H,31,33)(H,32,35)(H,34,36);2*4,7-10,14,17-18H,1,5-6,11-12H2,2-3H3,(H,29,31)(H,30,33)(H,32,34)/t2*14-,19+,20-;2*17-,18+/m0011/s1
• InChIKey: RYDRRGFBUZPZRV-OEAPONGLSA-N
• XLogP: 17.92
• TPSA: 426.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.04
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

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-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

The IUPAC name of N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide (CID 167660874) is N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide.

What is the SMILES notation for N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

The canonical SMILES for N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide is C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(NC3CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(NC3CC3)nc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N[C@@H](C)C3CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(N[C@@H](C)C3CC3)nc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1.

What is the InChIKey of N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

The InChIKey is RYDRRGFBUZPZRV-OEAPONGLSA-N. The full InChI is InChI=1S/C28H31Cl2N5O4.C28H31F2N5O4.C26H27Cl2N5O4.C26H27F2N5O4/c2*1-5-24(36)34-20-13-39-12-19(20)33-23-9-17-16(11-31-23)8-18(35-28(17)32-14(2)15-6-7-15)25-26(29)21(37-3)10-22(38-4)27(25)30;2*1-4-22(34)32-18-12-37-11-17(18)31-21-8-15-13(10-29-21)7-16(33-26(15)30-14-5-6-14)23-24(27)19(35-2)9-20(36-3)25(23)28/h2*5,8-11,14-15,19-20H,1,6-7,12-13H2,2-4H3,(H,31,33)(H,32,35)(H,34,36);2*4,7-10,14,17-18H,1,5-6,11-12H2,2-3H3,(H,29,31)(H,30,33)(H,32,34)/t2*14-,19+,20-;2*17-,18+/m0011/s1.

What are the key properties of N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide?

N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide has a molecular weight of 2168.04 g/mol, XLogP of 17.92, 38 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 167660874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).