4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one

C121H116ClN15O9 — CID 158702594

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(CCc5ccccc5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)CNCC2
InChIInChI=1S/C26H26N2O.C24H22ClN3O2.2C24H23N3O2.C23H22N4O2/c1-27-24-10-6-5-9-22(24)23-14-13-21(18-25(23)27)28-16-15-20(17-26(28)29)12-11-19-7-3-2-4-8-19;1-27-22-5-3-2-4-20(22)21-9-8-18(12-23(21)27)28-11-10-19(13-24(28)29)30-15-17-7-6-16(25)14-26-17;2*1-26-22-8-3-2-7-20(22)21-10-9-18(14-23(21)26)27-13-11-19(15-24(27)28)29-16-17-6-4-5-12-25-17;1-26-21-7-10-24-14-20(21)19-6-5-17(12-22(19)26)27-11-8-18(13-23(27)28)29-15-16-4-2-3-9-25-16/h2-4,7-8,13-18H,5-6,9-12H2,1H3;6-14H,2-5,15H2,1H3;2*4-6,9-15H,2-3,7-8,16H2,1H3;2-6,8-9,11-13,24H,7,10,14-15H2,1H3
InChIKeyIHSPCXMVZWLIPD-UHFFFAOYSA-N
MW1959.81 g/mol
LogP21.14
Rot. Bonds20

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one (PubChem CID 158702594) has the molecular formula C121H116ClN15O9 and a molecular weight of 1959.81 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one
PubChem CID158702594
Molecular FormulaC121H116ClN15O9
Molecular Weight1959.81 g/mol
Exact Mass1957.88
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(CCc5ccccc5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)CNCC2
InChIInChI=1S/C26H26N2O.C24H22ClN3O2.2C24H23N3O2.C23H22N4O2/c1-27-24-10-6-5-9-22(24)23-14-13-21(18-25(23)27)28-16-15-20(17-26(28)29)12-11-19-7-3-2-4-8-19;1-27-22-5-3-2-4-20(22)21-9-8-18(12-23(21)27)28-11-10-19(13-24(28)29)30-15-17-7-6-16(25)14-26-17;2*1-26-22-8-3-2-7-20(22)21-10-9-18(14-23(21)26)27-13-11-19(15-24(27)28)29-16-17-6-4-5-12-25-17;1-26-21-7-10-24-14-20(21)19-6-5-17(12-22(19)26)27-11-8-18(13-23(27)28)29-15-16-4-2-3-9-25-16/h2-4,7-8,13-18H,5-6,9-12H2,1H3;6-14H,2-5,15H2,1H3;2*4-6,9-15H,2-3,7-8,16H2,1H3;2-6,8-9,11-13,24H,7,10,14-15H2,1H3
InChIKeyIHSPCXMVZWLIPD-UHFFFAOYSA-N
XLogP21.14
TPSA235.16 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001959.81
LogP ≤ 521.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one (CID 158702594) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(CCc5ccccc5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)CNCC2.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one?
The InChIKey is IHSPCXMVZWLIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O.C24H22ClN3O2.2C24H23N3O2.C23H22N4O2/c1-27-24-10-6-5-9-22(24)23-14-13-21(18-25(23)27)28-16-15-20(17-26(28)29)12-11-19-7-3-2-4-8-19;1-27-22-5-3-2-4-20(22)21-9-8-18(12-23(21)27)28-11-10-19(13-24(28)29)30-15-17-7-6-16(25)14-26-17;2*1-26-22-8-3-2-7-20(22)21-10-9-18(14-23(21)26)27-13-11-19(15-24(27)28)29-16-17-6-4-5-12-25-17;1-26-21-7-10-24-14-20(21)19-6-5-17(12-22(19)26)27-11-8-18(13-23(27)28)29-15-16-4-2-3-9-25-16/h2-4,7-8,13-18H,5-6,9-12H2,1H3;6-14H,2-5,15H2,1H3;2*4-6,9-15H,2-3,7-8,16H2,1H3;2-6,8-9,11-13,24H,7,10,14-15H2,1H3.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one has a molecular weight of 1959.81 g/mol, XLogP of 21.14, 20 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(2-phenylethyl)pyridin-2-one;bis(1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one);1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyridin-2-ylmethoxy)pyridin-2-one is sourced from PubChem (CID 158702594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).