4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide

C24H29N7O2 — CID 118438656

IUPAC4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide
SMILESCCc1ccc2c(c1)C(CCNc1ncc(C#N)c(NC3CCC(C(N)=O)CC3)n1)C(=O)N2
InChIInChI=1S/C24H29N7O2/c1-2-14-3-8-20-19(11-14)18(23(33)30-20)9-10-27-24-28-13-16(12-25)22(31-24)29-17-6-4-15(5-7-17)21(26)32/h3,8,11,13,15,17-18H,2,4-7,9-10H2,1H3,(H2,26,32)(H,30,33)(H2,27,28,29,31)
InChIKeyWXAYZECVZHHFCV-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.90
Rot. Bonds8

About 4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide

4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide (PubChem CID 118438656) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide
PubChem CID118438656
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide
SMILESCCc1ccc2c(c1)C(CCNc1ncc(C#N)c(NC3CCC(C(N)=O)CC3)n1)C(=O)N2
InChIInChI=1S/C24H29N7O2/c1-2-14-3-8-20-19(11-14)18(23(33)30-20)9-10-27-24-28-13-16(12-25)22(31-24)29-17-6-4-15(5-7-17)21(26)32/h3,8,11,13,15,17-18H,2,4-7,9-10H2,1H3,(H2,26,32)(H,30,33)(H2,27,28,29,31)
InChIKeyWXAYZECVZHHFCV-UHFFFAOYSA-N
XLogP2.90
TPSA145.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-cyano-2-[2-(6-ethyl-2-oxo-1,3-dihydroinden-1-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide
CID 160611696
4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 118182864
4-[[2-[2-(3-chloro-4-fluorophenyl)ethylamino]-5-cyanopyrimidin-4-yl]amino]cyclohexane-1-carboxamide
CID 118179523
4-[[(1S,3R)-3-hydroxy-2,2-dimethylcyclohexyl]amino]-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 118179429
4-[2-[[5-cyano-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidin-2-yl]amino]ethyl]benzenesulfinamide;hydrate
CID 162327600
4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane
CID 144872350
2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792813
2-[2-(4-chlorophenyl)ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
CID 118179463
4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(4-methylsulfinylphenyl)ethylamino]pyrimidine-5-carbonitrile
CID 118179496
4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-[4-(5-methyltetrazol-1-yl)phenyl]ethylamino]pyrimidine-5-carbonitrile
CID 118182947
2-[2-[4-cyano-3-(trifluoromethyl)phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
CID 118182882
4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(2H-indazol-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 118182860

Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide (CID 118438656) is 4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide is CCc1ccc2c(c1)C(CCNc1ncc(C#N)c(NC3CCC(C(N)=O)CC3)n1)C(=O)N2.
What is the InChIKey of 4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is WXAYZECVZHHFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-2-14-3-8-20-19(11-14)18(23(33)30-20)9-10-27-24-28-13-16(12-25)22(31-24)29-17-6-4-15(5-7-17)21(26)32/h3,8,11,13,15,17-18H,2,4-7,9-10H2,1H3,(H2,26,32)(H,30,33)(H2,27,28,29,31).
What are the key properties of 4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide?
4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.90, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyano-2-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 118438656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).