5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile

C25H28N8O — CID 130268883

IUPAC5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile
SMILESCOc1ncccc1Nc1nccc(-c2cc(C#N)c3c(c2)C(C)(CN2CCNCC2)CN3)n1
InChIInChI=1S/C25H28N8O/c1-25(16-33-10-8-27-9-11-33)15-30-22-18(14-26)12-17(13-19(22)25)20-5-7-29-24(31-20)32-21-4-3-6-28-23(21)34-2/h3-7,12-13,27,30H,8-11,15-16H2,1-2H3,(H,29,31,32)
InChIKeyWNOBKCPQRIBFJG-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.75
Rot. Bonds6

About 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile

5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile (PubChem CID 130268883) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile
PubChem CID130268883
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile
SMILESCOc1ncccc1Nc1nccc(-c2cc(C#N)c3c(c2)C(C)(CN2CCNCC2)CN3)n1
InChIInChI=1S/C25H28N8O/c1-25(16-33-10-8-27-9-11-33)15-30-22-18(14-26)12-17(13-19(22)25)20-5-7-29-24(31-20)32-21-4-3-6-28-23(21)34-2/h3-7,12-13,27,30H,8-11,15-16H2,1-2H3,(H,29,31,32)
InChIKeyWNOBKCPQRIBFJG-UHFFFAOYSA-N
XLogP2.75
TPSA111.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-(hydroxymethyl)-5-[4-[(2-methoxy-3-pyridinyl)amino]-1,3,5-triazin-2-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130269168
3-(hydroxymethyl)-5-[2-[[2-methoxy-6-(2-methoxyethylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130268908
(3R)-3-(hydroxymethyl)-5-[2-[[6-methoxy-1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 138580778
(3R)-3-ethyl-5-[2-(2-methoxy-4-methylanilino)pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 163682083
(3R)-3-(hydroxymethyl)-5-[2-[[6-methoxy-5-methyl-2-(2-methylpropyl)-3-pyridinyl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130269031
CID 153471861
CID 153471861
3-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-2-methylbenzoic acid
CID 130271098
(3R)-5-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 162679935
(3R)-5-[2-(5-cyano-2-methylanilino)pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130270640
(3R)-5-[2-[5-cyano-2-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130271030
5-[2-[5-cyano-2-(2-methoxyethoxy)anilino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130271264
(3R)-5-[2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130270832

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile?
The IUPAC name of 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile (CID 130268883) is 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile.
What is the SMILES notation for 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile?
The canonical SMILES for 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile is COc1ncccc1Nc1nccc(-c2cc(C#N)c3c(c2)C(C)(CN2CCNCC2)CN3)n1.
What is the InChIKey of 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile?
The InChIKey is WNOBKCPQRIBFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-25(16-33-10-8-27-9-11-33)15-30-22-18(14-26)12-17(13-19(22)25)20-5-7-29-24(31-20)32-21-4-3-6-28-23(21)34-2/h3-7,12-13,27,30H,8-11,15-16H2,1-2H3,(H,29,31,32).
What are the key properties of 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile?
5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile has a molecular weight of 456.55 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-3-methyl-3-(piperazin-1-ylmethyl)-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 130268883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).