(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

C26H31N7O2 — CID 145427981

IUPAC(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
SMILESCC(C)n1nc(C2CCOCC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO)CN3)n1
InChIInChI=1S/C26H31N7O2/c1-16(2)33-23(12-22(32-33)17-5-8-35-9-6-17)31-25-28-7-4-21(30-25)18-10-19(13-27)24-20(11-18)26(3,15-34)14-29-24/h4,7,10-12,16-17,29,34H,5-6,8-9,14-15H2,1-3H3,(H,28,30,31)/t26-/m1/s1
InChIKeyQPAZNMYRPONIJL-AREMUKBSSA-N
MW473.58 g/mol
LogP4.11
Rot. Bonds6

About (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

(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 (PubChem CID 145427981) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID145427981
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name(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
SMILESCC(C)n1nc(C2CCOCC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO)CN3)n1
InChIInChI=1S/C26H31N7O2/c1-16(2)33-23(12-22(32-33)17-5-8-35-9-6-17)31-25-28-7-4-21(30-25)18-10-19(13-27)24-20(11-18)26(3,15-34)14-29-24/h4,7,10-12,16-17,29,34H,5-6,8-9,14-15H2,1-3H3,(H,28,30,31)/t26-/m1/s1
InChIKeyQPAZNMYRPONIJL-AREMUKBSSA-N
XLogP4.11
TPSA120.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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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
5-[2-[(2,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 145428116
(3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 146572454
(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-[[3-tert-butyl-1-(2-hydroxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 145427921
(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-1-(oxan-2-ylmethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
CID 145428219
5-[2-[[3-chloro-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 145428089
(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
(3R)-5-[2-[[1-(cyclopropylmethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 145428148
(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
CID 145428218
5-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylpyrazole-3-carboxamide
CID 145428092
5-[2-[(5-chloro-1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 146569733

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)n1nc(C2CCOCC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO)CN3)n1.
What is the InChIKey of (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?
The InChIKey is QPAZNMYRPONIJL-AREMUKBSSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-16(2)33-23(12-22(32-33)17-5-8-35-9-6-17)31-25-28-7-4-21(30-25)18-10-19(13-27)24-20(11-18)26(3,15-34)14-29-24/h4,7,10-12,16-17,29,34H,5-6,8-9,14-15H2,1-3H3,(H,28,30,31)/t26-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 473.58 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 145427981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).