[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone

C24H25N7O2 — CID 175942132

IUPAC[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3nccnc3C2)c2nc(C)c(C)nc21
InChIInChI=1S/C24H25N7O2/c1-12-5-6-18(32)13(2)21(12)31-22(25)19(20-23(31)29-15(4)14(3)28-20)24(33)30-10-7-16-17(11-30)27-9-8-26-16/h5-6,8-9,32H,7,10-11,25H2,1-4H3
InChIKeyGLMBDKLIDHCXRV-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.93
Rot. Bonds2

About [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone

[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone (PubChem CID 175942132) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone.

Molecular Properties

Compound Name[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone
PubChem CID175942132
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3nccnc3C2)c2nc(C)c(C)nc21
InChIInChI=1S/C24H25N7O2/c1-12-5-6-18(32)13(2)21(12)31-22(25)19(20-23(31)29-15(4)14(3)28-20)24(33)30-10-7-16-17(11-30)27-9-8-26-16/h5-6,8-9,32H,7,10-11,25H2,1-4H3
InChIKeyGLMBDKLIDHCXRV-UHFFFAOYSA-N
XLogP2.93
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone with MolForge

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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]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone?
The IUPAC name of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone (CID 175942132) is [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-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]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone?
The canonical SMILES for [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone is Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3nccnc3C2)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]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone?
The InChIKey is GLMBDKLIDHCXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-12-5-6-18(32)13(2)21(12)31-22(25)19(20-23(31)29-15(4)14(3)28-20)24(33)30-10-7-16-17(11-30)27-9-8-26-16/h5-6,8-9,32H,7,10-11,25H2,1-4H3.
What are the key properties of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone?
[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone has a molecular weight of 443.51 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 8 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]-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)methanone is sourced from PubChem (CID 175942132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).