bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one)

C136H133Cl8F4N23O10 — CID 157182867

About bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one)

bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one) (PubChem CID 157182867) has the molecular formula C136H133Cl8F4N23O10 and a molecular weight of 2609.33 g/mol. Its IUPAC name is bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one).

Molecular Properties

• Compound Name: bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one)
• PubChem CID: 157182867
• Molecular Formula: C136H133Cl8F4N23O10
• Molecular Weight: 2609.33 g/mol
• Exact Mass: 2603.81
• IUPAC Name: bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one)
• SMILES: CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C2CCOC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C2CCOC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(F)cccc2F)c(=O)n3C2CCCC2)nc1.O=c1c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(F)cn3)cc2n1C1CCCC1.O=c1c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(F)cn3)cc2n1C1CCCC1
• InChI: InChI=1S/C30H33F2N5O2.2C29H31Cl2N5O3.2C24H19Cl2FN4O/c1-3-36(4-2)14-15-39-22-12-13-27(34-19-22)35-28-17-26-20(18-33-28)16-23(29-24(31)10-7-11-25(29)32)30(38)37(26)21-8-5-6-9-21;2*1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20;2*25-18-6-3-7-19(26)23(18)17-10-14-12-28-22(30-21-9-8-15(27)13-29-21)11-20(14)31(24(17)32)16-4-1-2-5-16/h7,10-13,16-19,21H,3-6,8-9,14-15H2,1-2H3,(H,33,34,35);2*5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34);2*3,6-13,16H,1-2,4-5H2,(H,28,29,30)
• InChIKey: AOTPRBONUMWBAV-UHFFFAOYSA-N
• XLogP: 32.22
• TPSA: 354.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 38
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2609.33
LogP ≤ 5	32.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one)?

The IUPAC name of bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one) (CID 157182867) is bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one).

What is the SMILES notation for bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one)?

The canonical SMILES for bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one) is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C2CCOC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C2CCOC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(F)cccc2F)c(=O)n3C2CCCC2)nc1.O=c1c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(F)cn3)cc2n1C1CCCC1.O=c1c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(F)cn3)cc2n1C1CCCC1.

What is the InChIKey of bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one)?

The InChIKey is AOTPRBONUMWBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N5O2.2C29H31Cl2N5O3.2C24H19Cl2FN4O/c1-3-36(4-2)14-15-39-22-12-13-27(34-19-22)35-28-17-26-20(18-33-28)16-23(29-24(31)10-7-11-25(29)32)30(38)37(26)21-8-5-6-9-21;2*1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20;2*25-18-6-3-7-19(26)23(18)17-10-14-12-28-22(30-21-9-8-15(27)13-29-21)11-20(14)31(24(17)32)16-4-1-2-5-16/h7,10-13,16-19,21H,3-6,8-9,14-15H2,1-2H3,(H,33,34,35);2*5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34);2*3,6-13,16H,1-2,4-5H2,(H,28,29,30).

What are the key properties of bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one)?

bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one) has a molecular weight of 2609.33 g/mol, XLogP of 32.22, 38 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one) is sourced from PubChem (CID 157182867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).