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

C22H25N7O3 — CID 146572454

IUPAC(3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
SMILESCOCCn1nc(CO)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO)CN3)n1
InChIInChI=1S/C22H25N7O3/c1-22(13-31)12-25-20-15(10-23)7-14(8-17(20)22)18-3-4-24-21(26-18)27-19-9-16(11-30)28-29(19)5-6-32-2/h3-4,7-9,25,30-31H,5-6,11-13H2,1-2H3,(H,24,26,27)/t22-/m1/s1
InChIKeyCFTJTLSCZUSBBN-JOCHJYFZSA-N
MW435.49 g/mol
LogP1.77
Rot. Bonds8

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

(3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile (PubChem CID 146572454) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
PubChem CID146572454
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name(3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
SMILESCOCCn1nc(CO)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO)CN3)n1
InChIInChI=1S/C22H25N7O3/c1-22(13-31)12-25-20-15(10-23)7-14(8-17(20)22)18-3-4-24-21(26-18)27-19-9-16(11-30)28-29(19)5-6-32-2/h3-4,7-9,25,30-31H,5-6,11-13H2,1-2H3,(H,24,26,27)/t22-/m1/s1
InChIKeyCFTJTLSCZUSBBN-JOCHJYFZSA-N
XLogP1.77
TPSA141.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile with MolForge

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Related Compounds

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
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-[[6-methoxy-1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 138580778
5-[2-[(5-chloro-1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 146569733
(3R)-5-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 162679935
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-cyano-2-(2-methoxyethoxy)anilino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130271264
(3R)-5-[2-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 145427893
3-(hydroxymethyl)-5-[2-[[8-(3-methoxypropyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 155110764
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
3-(hydroxymethyl)-5-[2-[[2-methoxy-6-(2-methoxyethylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130268908
5-[2-[5-cyano-2-(3-methoxypropyl)anilino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130271158

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile?
The IUPAC name of (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) is (3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile?
The canonical SMILES for (3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile is COCCn1nc(CO)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO)CN3)n1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile?
The InChIKey is CFTJTLSCZUSBBN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-22(13-31)12-25-20-15(10-23)7-14(8-17(20)22)18-3-4-24-21(26-18)27-19-9-16(11-30)28-29(19)5-6-32-2/h3-4,7-9,25,30-31H,5-6,11-13H2,1-2H3,(H,24,26,27)/t22-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile?
(3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile has a molecular weight of 435.49 g/mol, XLogP of 1.77, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-5-[2-[[3-(hydroxymethyl)-1-(2-methoxyethyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 146572454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).