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

C23H24FN7O2 — CID 175942111

IUPAC[6-amino-5-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESCc1cc(F)c(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C)nc21
InChIInChI=1S/C23H24FN7O2/c1-11-9-16(24)20(32)12(2)19(11)31-21(25)17(18-22(31)28-14(4)13(3)27-18)23(33)29-7-8-30-15(10-29)5-6-26-30/h5-6,9,32H,7-8,10,25H2,1-4H3
InChIKeyRZJIPVDRTPYJRT-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.93
Rot. Bonds2

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

[6-amino-5-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (PubChem CID 175942111) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is [6-amino-5-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[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-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
PubChem CID175942111
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name[6-amino-5-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESCc1cc(F)c(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C)nc21
InChIInChI=1S/C23H24FN7O2/c1-11-9-16(24)20(32)12(2)19(11)31-21(25)17(18-22(31)28-14(4)13(3)27-18)23(33)29-7-8-30-15(10-29)5-6-26-30/h5-6,9,32H,7-8,10,25H2,1-4H3
InChIKeyRZJIPVDRTPYJRT-UHFFFAOYSA-N
XLogP2.93
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [6-amino-5-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[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-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (CID 175942111) is [6-amino-5-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[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-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[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-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is Cc1cc(F)c(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C)nc21.
What is the InChIKey of [6-amino-5-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The InChIKey is RZJIPVDRTPYJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-11-9-16(24)20(32)12(2)19(11)31-21(25)17(18-22(31)28-14(4)13(3)27-18)23(33)29-7-8-30-15(10-29)5-6-26-30/h5-6,9,32H,7-8,10,25H2,1-4H3.
What are the key properties of [6-amino-5-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
[6-amino-5-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone has a molecular weight of 449.49 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-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is sourced from PubChem (CID 175942111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).