4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile

C20H22N6O — CID 145147206

IUPAC4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
SMILESCc1cc2c(C)c(Oc3ncnc(N4CCN(C)CC4)c3C#N)ccc2[nH]1
InChIInChI=1S/C20H22N6O/c1-13-10-15-14(2)18(5-4-17(15)24-13)27-20-16(11-21)19(22-12-23-20)26-8-6-25(3)7-9-26/h4-5,10,12,24H,6-9H2,1-3H3
InChIKeyDHONLSLGIMBEKU-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.99
Rot. Bonds3

About 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile

4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile (PubChem CID 145147206) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
PubChem CID145147206
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
SMILESCc1cc2c(C)c(Oc3ncnc(N4CCN(C)CC4)c3C#N)ccc2[nH]1
InChIInChI=1S/C20H22N6O/c1-13-10-15-14(2)18(5-4-17(15)24-13)27-20-16(11-21)19(22-12-23-20)26-8-6-25(3)7-9-26/h4-5,10,12,24H,6-9H2,1-3H3
InChIKeyDHONLSLGIMBEKU-UHFFFAOYSA-N
XLogP2.99
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-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

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(2E)-2-(4-methylpiperazin-1-yl)penta-2,4-dienyl]pyrimidine-5-carbonitrile
CID 122520751
N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 90147501
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 122520629
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carbonitrile
CID 122519334
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(1-oxo-1,2-thiazolidin-2-yl)anilino]pyrimidine-5-carbonitrile
CID 138613851
3-cyclopropyl-N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 90147477
4-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-5-carbonitrile
CID 134575973
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-piperidin-4-ylanilino)pyrimidine-5-carbonitrile
CID 122519627
5-(difluoromethyl)-6-[(2,4-dimethyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 145145303
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-methylpyrimidine-5-carbonitrile
CID 145145405
2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
CID 69171507
8-bromo-4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
CID 3846847

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile (CID 145147206) is 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile is Cc1cc2c(C)c(Oc3ncnc(N4CCN(C)CC4)c3C#N)ccc2[nH]1.
What is the InChIKey of 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is DHONLSLGIMBEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13-10-15-14(2)18(5-4-17(15)24-13)27-20-16(11-21)19(22-12-23-20)26-8-6-25(3)7-9-26/h4-5,10,12,24H,6-9H2,1-3H3.
What are the key properties of 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile has a molecular weight of 362.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 145147206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).