4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide

C29H24N4O2 — CID 141436377

IUPAC4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cccnc4)cc23)cccc1N1Cc2ccccc2C1O
InChIInChI=1S/C29H24N4O2/c1-17-20(9-4-10-26(17)33-16-19-6-2-3-8-21(19)29(33)35)22-11-12-23(28(30)34)27-24(22)14-25(32-27)18-7-5-13-31-15-18/h2-15,29,32,35H,16H2,1H3,(H2,30,34)
InChIKeyXOMRIIXJNCZOTE-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.32
Rot. Bonds4

About 4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide

4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide (PubChem CID 141436377) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide
PubChem CID141436377
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cccnc4)cc23)cccc1N1Cc2ccccc2C1O
InChIInChI=1S/C29H24N4O2/c1-17-20(9-4-10-26(17)33-16-19-6-2-3-8-21(19)29(33)35)22-11-12-23(28(30)34)27-24(22)14-25(32-27)18-7-5-13-31-15-18/h2-15,29,32,35H,16H2,1H3,(H2,30,34)
InChIKeyXOMRIIXJNCZOTE-UHFFFAOYSA-N
XLogP5.32
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3f
CID 5330724
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3bb
CID 5330746
3-[2-(Dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid
CID 56589667
US9682968, Example-25a (+)
CID 90466447
4-(3-(5-fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl)-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 90468112
US10266491, Example 37
CID 130362292
US10266491, Example 4
CID 130362493
1H-Indole-6-carboxylic acid, 3-cyclohexyl-2-(2-pyridinyl)-
CID 514285
4-[2-Fluoro-3-(4-Oxoquinazolin-3(4h)-Yl)phenyl]-7-(2-Hydroxypropan-2-Yl)-9h-Carbazole-1-Carboxamide
CID 121499156
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(1H-indol-4-yl)methanone
CID 54585147
4-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 145982512
4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 162646229

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide?
The IUPAC name of 4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide (CID 141436377) is 4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide?
The canonical SMILES for 4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cccnc4)cc23)cccc1N1Cc2ccccc2C1O.
What is the InChIKey of 4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide?
The InChIKey is XOMRIIXJNCZOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c1-17-20(9-4-10-26(17)33-16-19-6-2-3-8-21(19)29(33)35)22-11-12-23(28(30)34)27-24(22)14-25(32-27)18-7-5-13-31-15-18/h2-15,29,32,35H,16H2,1H3,(H2,30,34).
What are the key properties of 4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide?
4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 5.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylphenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 141436377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).