[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone

C28H34N8O2 — CID 175942106

IUPAC[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C3CCN(C)CC3)nc21
InChIInChI=1S/C28H34N8O2/c1-16-5-6-21(37)17(2)25(16)36-26(29)22(28(38)34-13-14-35-20(15-34)7-10-30-35)24-27(36)32-23(18(3)31-24)19-8-11-33(4)12-9-19/h5-7,10,19,37H,8-9,11-15,29H2,1-4H3
InChIKeyLQVPTJNUZOETOA-UHFFFAOYSA-N
MW514.63 g/mol
LogP3.30
Rot. Bonds3

About [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone

[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (PubChem CID 175942106) has the molecular formula C28H34N8O2 and a molecular weight of 514.63 g/mol. Its IUPAC name is [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.

Molecular Properties

Compound Name[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
PubChem CID175942106
Molecular FormulaC28H34N8O2
Molecular Weight514.63 g/mol
Exact Mass514.28
IUPAC Name[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C3CCN(C)CC3)nc21
InChIInChI=1S/C28H34N8O2/c1-16-5-6-21(37)17(2)25(16)36-26(29)22(28(38)34-13-14-35-20(15-34)7-10-30-35)24-27(36)32-23(18(3)31-24)19-8-11-33(4)12-9-19/h5-7,10,19,37H,8-9,11-15,29H2,1-4H3
InChIKeyLQVPTJNUZOETOA-UHFFFAOYSA-N
XLogP3.30
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

Myt1-IN-3
CID 156869367
4-(3-hydroxy-4-methylanilino)-5-methyl-N-[3-(triazol-2-yl)propyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 22260328
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
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
2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)-8-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168269060
2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 168270925
1-(3-Hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168281351

Frequently Asked Questions

What is the IUPAC name of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The IUPAC name of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (CID 175942106) is [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.
What is the SMILES notation for [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The canonical SMILES for [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C3CCN(C)CC3)nc21.
What is the InChIKey of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The InChIKey is LQVPTJNUZOETOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O2/c1-16-5-6-21(37)17(2)25(16)36-26(29)22(28(38)34-13-14-35-20(15-34)7-10-30-35)24-27(36)32-23(18(3)31-24)19-8-11-33(4)12-9-19/h5-7,10,19,37H,8-9,11-15,29H2,1-4H3.
What are the key properties of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone has a molecular weight of 514.63 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 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-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is sourced from PubChem (CID 175942106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).