(3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile

C24H28N8O2 — CID 145427798

IUPAC(3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
SMILESCCn1ncc(Nc2nccc(-c3cc(C#N)c4c(c3)[C@@](C)(CO)CN4)n2)c1N1CCOCC1
InChIInChI=1S/C24H28N8O2/c1-3-32-22(31-6-8-34-9-7-31)20(13-28-32)30-23-26-5-4-19(29-23)16-10-17(12-25)21-18(11-16)24(2,15-33)14-27-21/h4-5,10-11,13,27,33H,3,6-9,14-15H2,1-2H3,(H,26,29,30)/t24-/m1/s1
InChIKeyXPTIGEFOHBZQDY-XMMPIXPASA-N
MW460.54 g/mol
LogP2.49
Rot. Bonds6

About (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile

(3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile (PubChem CID 145427798) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name(3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
PubChem CID145427798
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name(3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
SMILESCCn1ncc(Nc2nccc(-c3cc(C#N)c4c(c3)[C@@](C)(CO)CN4)n2)c1N1CCOCC1
InChIInChI=1S/C24H28N8O2/c1-3-32-22(31-6-8-34-9-7-31)20(13-28-32)30-23-26-5-4-19(29-23)16-10-17(12-25)21-18(11-16)24(2,15-33)14-27-21/h4-5,10-11,13,27,33H,3,6-9,14-15H2,1-2H3,(H,26,29,30)/t24-/m1/s1
InChIKeyXPTIGEFOHBZQDY-XMMPIXPASA-N
XLogP2.49
TPSA124.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-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)-3-methyl-5-[2-[[5-methyl-1-(oxan-4-ylmethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
CID 145428249
(3R)-5-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 162679935
5-[2-(2,5-dichloroanilino)pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130270720
(3R)-5-[2-(5-cyano-2-methylanilino)pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130270640
3-(hydroxymethyl)-3-methyl-5-[2-[[1-methyl-5-(4-methylmorpholin-3-yl)pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
CID 146569797
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-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130268923
(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[3-(oxan-4-yl)-1-propan-2-ylpyrazol-5-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
CID 145427981
5-[2-[(5-chloro-1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 146569733
(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(3-methyl-8-pentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
CID 138580757
5-[2-[(2,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 145428116
(3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130268754

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?
The IUPAC name of (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile (CID 145427798) is (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile.
What is the SMILES notation for (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?
The canonical SMILES for (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile is CCn1ncc(Nc2nccc(-c3cc(C#N)c4c(c3)[C@@](C)(CO)CN4)n2)c1N1CCOCC1.
What is the InChIKey of (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?
The InChIKey is XPTIGEFOHBZQDY-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N8O2/c1-3-32-22(31-6-8-34-9-7-31)20(13-28-32)30-23-26-5-4-19(29-23)16-10-17(12-25)21-18(11-16)24(2,15-33)14-27-21/h4-5,10-11,13,27,33H,3,6-9,14-15H2,1-2H3,(H,26,29,30)/t24-/m1/s1.
What are the key properties of (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?
(3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile has a molecular weight of 460.54 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[2-[(1-ethyl-5-morpholin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 145427798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).