5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile

C24H24ClN5O2 — CID 130270693

IUPAC5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile
SMILESCOCc1cc(OC)c(Nc2nccc(-c3cc(C#N)c4c(c3)C(C)(C)CN4)n2)cc1Cl
InChIInChI=1S/C24H24ClN5O2/c1-24(2)13-28-22-15(11-26)7-14(8-17(22)24)19-5-6-27-23(29-19)30-20-10-18(25)16(12-31-3)9-21(20)32-4/h5-10,28H,12-13H2,1-4H3,(H,27,29,30)
InChIKeyVSLPLWNYDTZQSL-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.27
Rot. Bonds6

About 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile

5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile (PubChem CID 130270693) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile
PubChem CID130270693
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile
SMILESCOCc1cc(OC)c(Nc2nccc(-c3cc(C#N)c4c(c3)C(C)(C)CN4)n2)cc1Cl
InChIInChI=1S/C24H24ClN5O2/c1-24(2)13-28-22-15(11-26)7-14(8-17(22)24)19-5-6-27-23(29-19)30-20-10-18(25)16(12-31-3)9-21(20)32-4/h5-10,28H,12-13H2,1-4H3,(H,27,29,30)
InChIKeyVSLPLWNYDTZQSL-UHFFFAOYSA-N
XLogP5.27
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-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

5-[2-[5-chloro-4-(4-ethylpiperazin-1-yl)-2-methoxyanilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile
CID 130271107
(3R)-3-ethyl-5-[2-(2-methoxy-4-methylanilino)pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 163682083
methyl 2-chloro-4-[[4-(7-cyano-3,3-dimethyl-1,2-dihydroinden-5-yl)pyrimidin-2-yl]amino]-5-methoxybenzoate
CID 157441697
(3R)-5-[2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130270832
3-(hydroxymethyl)-5-[2-[(6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 138580874
5-[2-(2,5-dichloroanilino)pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130270720
5-[2-[5-cyano-2-(2-methoxyethoxy)anilino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130271264
6-[2-[5-chloro-4-(4-ethylpiperazin-1-yl)-2-methoxyanilino]pyrimidin-4-yl]-1,1-dimethyl-2,3-dihydroindene-4-carbonitrile
CID 158678717
(3R)-5-[2-[[5-chloro-6-[2-methoxyethyl(methyl)amino]-2-methyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130268287
6-[2-(5-chloro-2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,1-dimethyl-2,3-dihydroindene-4-carbonitrile
CID 158844139
5-[2-[(6-fluoro-1H-indol-4-yl)amino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile;molecular hydrogen
CID 163449381
3-(hydroxymethyl)-5-[2-[[2-methoxy-6-(2-methoxyethylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130268908

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile?
The IUPAC name of 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile (CID 130270693) is 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile.
What is the SMILES notation for 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile?
The canonical SMILES for 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile is COCc1cc(OC)c(Nc2nccc(-c3cc(C#N)c4c(c3)C(C)(C)CN4)n2)cc1Cl.
What is the InChIKey of 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile?
The InChIKey is VSLPLWNYDTZQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-24(2)13-28-22-15(11-26)7-14(8-17(22)24)19-5-6-27-23(29-19)30-20-10-18(25)16(12-31-3)9-21(20)32-4/h5-10,28H,12-13H2,1-4H3,(H,27,29,30).
What are the key properties of 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile?
5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile has a molecular weight of 449.94 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-chloro-2-methoxy-4-(methoxymethyl)anilino]pyrimidin-4-yl]-3,3-dimethyl-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 130270693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).