1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine

C99H94ClN15O5 — CID 159314722

IUPAC1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine
SMILESC.C.C1COCCN1.Cc1ncccc1C(=O)O.Clc1nc(-c2cccc3c2ccn3Cc2ccccc2)cc2ncccc12.N#Cc1cccc2c1ccn2Cc1ccccc1.c1cc(-c2cc3ncccc3c(N3CCOCC3)n2)c2cc[nH]c2c1.c1ccc(Cn2ccc3c(-c4cc5ncccc5c(N5CCOCC5)n4)cccc32)cc1
InChIInChI=1S/C27H24N4O.C23H16ClN3.C20H18N4O.C16H12N2.C7H7NO2.C4H9NO.2CH4/c1-2-6-20(7-3-1)19-31-13-11-22-21(8-4-10-26(22)31)25-18-24-23(9-5-12-28-24)27(29-25)30-14-16-32-17-15-30;24-23-19-9-5-12-25-20(19)14-21(26-23)17-8-4-10-22-18(17)11-13-27(22)15-16-6-2-1-3-7-16;1-3-14(15-6-8-22-17(15)5-1)19-13-18-16(4-2-7-21-18)20(23-19)24-9-11-25-12-10-24;17-11-14-7-4-8-16-15(14)9-10-18(16)12-13-5-2-1-3-6-13;1-5-6(7(9)10)3-2-4-8-5;1-3-6-4-2-5-1;;/h1-13,18H,14-17,19H2;1-14H,15H2;1-8,13,22H,9-12H2;1-10H,12H2;2-4H,1H3,(H,9,10);5H,1-4H2;2*1H4
InChIKeyLCZKLQOMULFJKE-UHFFFAOYSA-N
MW1609.39 g/mol
LogP20.23
Rot. Bonds12

About 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine

1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine (PubChem CID 159314722) has the molecular formula C99H94ClN15O5 and a molecular weight of 1609.39 g/mol. Its IUPAC name is 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine.

Molecular Properties

Compound Name1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine
PubChem CID159314722
Molecular FormulaC99H94ClN15O5
Molecular Weight1609.39 g/mol
Exact Mass1607.73
IUPAC Name1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine
SMILESC.C.C1COCCN1.Cc1ncccc1C(=O)O.Clc1nc(-c2cccc3c2ccn3Cc2ccccc2)cc2ncccc12.N#Cc1cccc2c1ccn2Cc1ccccc1.c1cc(-c2cc3ncccc3c(N3CCOCC3)n2)c2cc[nH]c2c1.c1ccc(Cn2ccc3c(-c4cc5ncccc5c(N5CCOCC5)n4)cccc32)cc1
InChIInChI=1S/C27H24N4O.C23H16ClN3.C20H18N4O.C16H12N2.C7H7NO2.C4H9NO.2CH4/c1-2-6-20(7-3-1)19-31-13-11-22-21(8-4-10-26(22)31)25-18-24-23(9-5-12-28-24)27(29-25)30-14-16-32-17-15-30;24-23-19-9-5-12-25-20(19)14-21(26-23)17-8-4-10-22-18(17)11-13-27(22)15-16-6-2-1-3-7-16;1-3-14(15-6-8-22-17(15)5-1)19-13-18-16(4-2-7-21-18)20(23-19)24-9-11-25-12-10-24;17-11-14-7-4-8-16-15(14)9-10-18(16)12-13-5-2-1-3-6-13;1-5-6(7(9)10)3-2-4-8-5;1-3-6-4-2-5-1;;/h1-13,18H,14-17,19H2;1-14H,15H2;1-8,13,22H,9-12H2;1-10H,12H2;2-4H,1H3,(H,9,10);5H,1-4H2;2*1H4
InChIKeyLCZKLQOMULFJKE-UHFFFAOYSA-N
XLogP20.23
TPSA228.10 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.39
LogP ≤ 520.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine?
The IUPAC name of 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine (CID 159314722) is 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine.
What is the SMILES notation for 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine?
The canonical SMILES for 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine is C.C.C1COCCN1.Cc1ncccc1C(=O)O.Clc1nc(-c2cccc3c2ccn3Cc2ccccc2)cc2ncccc12.N#Cc1cccc2c1ccn2Cc1ccccc1.c1cc(-c2cc3ncccc3c(N3CCOCC3)n2)c2cc[nH]c2c1.c1ccc(Cn2ccc3c(-c4cc5ncccc5c(N5CCOCC5)n4)cccc32)cc1.
What is the InChIKey of 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine?
The InChIKey is LCZKLQOMULFJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O.C23H16ClN3.C20H18N4O.C16H12N2.C7H7NO2.C4H9NO.2CH4/c1-2-6-20(7-3-1)19-31-13-11-22-21(8-4-10-26(22)31)25-18-24-23(9-5-12-28-24)27(29-25)30-14-16-32-17-15-30;24-23-19-9-5-12-25-20(19)14-21(26-23)17-8-4-10-22-18(17)11-13-27(22)15-16-6-2-1-3-7-16;1-3-14(15-6-8-22-17(15)5-1)19-13-18-16(4-2-7-21-18)20(23-19)24-9-11-25-12-10-24;17-11-14-7-4-8-16-15(14)9-10-18(16)12-13-5-2-1-3-6-13;1-5-6(7(9)10)3-2-4-8-5;1-3-6-4-2-5-1;;/h1-13,18H,14-17,19H2;1-14H,15H2;1-8,13,22H,9-12H2;1-10H,12H2;2-4H,1H3,(H,9,10);5H,1-4H2;2*1H4.
What are the key properties of 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine?
1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine has a molecular weight of 1609.39 g/mol, XLogP of 20.23, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylindole-4-carbonitrile;7-(1-benzylindol-4-yl)-5-chloro-1,6-naphthyridine;4-[7-(1-benzylindol-4-yl)-1,6-naphthyridin-5-yl]morpholine;4-[7-(1H-indol-4-yl)-1,6-naphthyridin-5-yl]morpholine;methane;2-methylpyridine-3-carboxylic acid;morpholine is sourced from PubChem (CID 159314722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).