[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C26H31N7O3 — CID 175942118

IUPAC[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3c(cnc3C(C)(C)O)C2)c2nc(C)c(C)nc21
InChIInChI=1S/C26H31N7O3/c1-13-7-8-18(34)14(2)21(13)33-22(27)19(20-23(33)30-16(4)15(3)29-20)24(35)31-9-10-32-17(12-31)11-28-25(32)26(5,6)36/h7-8,11,34,36H,9-10,12,27H2,1-6H3
InChIKeyVJZGJJHEEQMXDH-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.02
Rot. Bonds3

About [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 175942118) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID175942118
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3c(cnc3C(C)(C)O)C2)c2nc(C)c(C)nc21
InChIInChI=1S/C26H31N7O3/c1-13-7-8-18(34)14(2)21(13)33-22(27)19(20-23(33)30-16(4)15(3)29-20)24(35)31-9-10-32-17(12-31)11-28-25(32)26(5,6)36/h7-8,11,34,36H,9-10,12,27H2,1-6H3
InChIKeyVJZGJJHEEQMXDH-UHFFFAOYSA-N
XLogP3.02
TPSA135.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 91933866
Myt1-IN-3
CID 156869367
2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869549
4-Hydroxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10647327
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-morpholin-4-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869375
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869396
Myt1-IN-2
CID 156869435
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869445
6-Amino-2-(3,5-difluoro-2-pyridinyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869476
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869528
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869542
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869646

Frequently Asked Questions

What is the IUPAC name of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 175942118) is [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3c(cnc3C(C)(C)O)C2)c2nc(C)c(C)nc21.
What is the InChIKey of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is VJZGJJHEEQMXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-13-7-8-18(34)14(2)21(13)33-22(27)19(20-23(33)30-16(4)15(3)29-20)24(35)31-9-10-32-17(12-31)11-28-25(32)26(5,6)36/h7-8,11,34,36H,9-10,12,27H2,1-6H3.
What are the key properties of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 489.58 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-[3-(2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 175942118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).