1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one

C116H109Cl10N21O16 — CID 159228588

IUPAC1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cnn(C)c3)cc21.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(C(C)C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(CC3CC3)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(CCN3CCOCC3)c2=O)c1Cl
InChIInChI=1S/C26H27Cl2N5O4.C24H22Cl2N4O3.C23H22Cl2N4O3.C22H20Cl2N4O3.C21H18Cl2N4O3/c1-31-15-17(14-30-31)19-11-20-16(13-29-19)10-18(23-24(27)21(35-2)12-22(36-3)25(23)28)26(34)33(20)5-4-32-6-8-37-9-7-32;1-29-12-15(10-28-29)17-7-18-14(9-27-17)6-16(24(31)30(18)11-13-4-5-13)21-22(25)19(32-2)8-20(33-3)23(21)26;1-12(2)29-17-7-16(14-10-27-28(3)11-14)26-9-13(17)6-15(23(29)30)20-21(24)18(31-4)8-19(32-5)22(20)25;1-5-28-16-7-15(13-10-26-27(2)11-13)25-9-12(16)6-14(22(28)29)19-20(23)17(30-3)8-18(31-4)21(19)24;1-26-10-12(9-25-26)14-6-15-11(8-24-14)5-13(21(28)27(15)2)18-19(22)16(29-3)7-17(30-4)20(18)23/h10-15H,4-9H2,1-3H3;6-10,12-13H,4-5,11H2,1-3H3;6-12H,1-5H3;6-11H,5H2,1-4H3;5-10H,1-4H3
InChIKeyKSPJSQBFNBDCJO-UHFFFAOYSA-N
MW2407.81 g/mol
LogP23.82
Rot. Bonds27

About 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one

1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one (PubChem CID 159228588) has the molecular formula C116H109Cl10N21O16 and a molecular weight of 2407.81 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one
PubChem CID159228588
Molecular FormulaC116H109Cl10N21O16
Molecular Weight2407.81 g/mol
Exact Mass2401.52
IUPAC Name1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cnn(C)c3)cc21.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(C(C)C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(CC3CC3)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(CCN3CCOCC3)c2=O)c1Cl
InChIInChI=1S/C26H27Cl2N5O4.C24H22Cl2N4O3.C23H22Cl2N4O3.C22H20Cl2N4O3.C21H18Cl2N4O3/c1-31-15-17(14-30-31)19-11-20-16(13-29-19)10-18(23-24(27)21(35-2)12-22(36-3)25(23)28)26(34)33(20)5-4-32-6-8-37-9-7-32;1-29-12-15(10-28-29)17-7-18-14(9-27-17)6-16(24(31)30(18)11-13-4-5-13)21-22(25)19(32-2)8-20(33-3)23(21)26;1-12(2)29-17-7-16(14-10-27-28(3)11-14)26-9-13(17)6-15(23(29)30)20-21(24)18(31-4)8-19(32-5)22(20)25;1-5-28-16-7-15(13-10-26-27(2)11-13)25-9-12(16)6-14(22(28)29)19-20(23)17(30-3)8-18(31-4)21(19)24;1-26-10-12(9-25-26)14-6-15-11(8-24-14)5-13(21(28)27(15)2)18-19(22)16(29-3)7-17(30-4)20(18)23/h10-15H,4-9H2,1-3H3;6-10,12-13H,4-5,11H2,1-3H3;6-12H,1-5H3;6-11H,5H2,1-4H3;5-10H,1-4H3
InChIKeyKSPJSQBFNBDCJO-UHFFFAOYSA-N
XLogP23.82
TPSA368.32 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002407.81
LogP ≤ 523.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one (CID 159228588) is 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cnn(C)c3)cc21.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(C(C)C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(CC3CC3)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)cc3n(CCN3CCOCC3)c2=O)c1Cl.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one?
The InChIKey is KSPJSQBFNBDCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N5O4.C24H22Cl2N4O3.C23H22Cl2N4O3.C22H20Cl2N4O3.C21H18Cl2N4O3/c1-31-15-17(14-30-31)19-11-20-16(13-29-19)10-18(23-24(27)21(35-2)12-22(36-3)25(23)28)26(34)33(20)5-4-32-6-8-37-9-7-32;1-29-12-15(10-28-29)17-7-18-14(9-27-17)6-16(24(31)30(18)11-13-4-5-13)21-22(25)19(32-2)8-20(33-3)23(21)26;1-12(2)29-17-7-16(14-10-27-28(3)11-14)26-9-13(17)6-15(23(29)30)20-21(24)18(31-4)8-19(32-5)22(20)25;1-5-28-16-7-15(13-10-26-27(2)11-13)25-9-12(16)6-14(22(28)29)19-20(23)17(30-3)8-18(31-4)21(19)24;1-26-10-12(9-25-26)14-6-15-11(8-24-14)5-13(21(28)27(15)2)18-19(22)16(29-3)7-17(30-4)20(18)23/h10-15H,4-9H2,1-3H3;6-10,12-13H,4-5,11H2,1-3H3;6-12H,1-5H3;6-11H,5H2,1-4H3;5-10H,1-4H3.
What are the key properties of 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one?
1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one has a molecular weight of 2407.81 g/mol, XLogP of 23.82, 27 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-1-propan-2-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 159228588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).