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

C22H20F3N7O2 — CID 175942114

IUPAC[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-(trifluoromethyl)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)c2ncc(C(F)(F)F)nc21
InChIInChI=1S/C22H20F3N7O2/c1-11-3-4-14(33)12(2)18(11)32-19(26)16(17-20(32)29-15(9-27-17)22(23,24)25)21(34)30-7-8-31-13(10-30)5-6-28-31/h3-6,9,33H,7-8,10,26H2,1-2H3
InChIKeyBTBRBTRLCBPEQY-UHFFFAOYSA-N
MW471.44 g/mol
LogP3.20
Rot. Bonds2

About [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-(trifluoromethyl)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)-3-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (PubChem CID 175942114) has the molecular formula C22H20F3N7O2 and a molecular weight of 471.44 g/mol. Its IUPAC name is [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-(trifluoromethyl)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)-3-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
PubChem CID175942114
Molecular FormulaC22H20F3N7O2
Molecular Weight471.44 g/mol
Exact Mass471.16
IUPAC Name[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-(trifluoromethyl)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)c2ncc(C(F)(F)F)nc21
InChIInChI=1S/C22H20F3N7O2/c1-11-3-4-14(33)12(2)18(11)32-19(26)16(17-20(32)29-15(9-27-17)22(23,24)25)21(34)30-7-8-31-13(10-30)5-6-28-31/h3-6,9,33H,7-8,10,26H2,1-2H3
InChIKeyBTBRBTRLCBPEQY-UHFFFAOYSA-N
XLogP3.20
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-(trifluoromethyl)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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Related Compounds

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CID 10647327
4-(3-hydroxy-4-methylanilino)-5-propyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 21945905
4-(3-hydroxy-4-methylanilino)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 22260308
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
5,7-Dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]phenyl]methanone
CID 155268717
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

Frequently Asked Questions

What is the IUPAC name of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-(trifluoromethyl)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)-3-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (CID 175942114) is [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-(trifluoromethyl)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)-3-(trifluoromethyl)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)-3-(trifluoromethyl)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)c2ncc(C(F)(F)F)nc21.
What is the InChIKey of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The InChIKey is BTBRBTRLCBPEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O2/c1-11-3-4-14(33)12(2)18(11)32-19(26)16(17-20(32)29-15(9-27-17)22(23,24)25)21(34)30-7-8-31-13(10-30)5-6-28-31/h3-6,9,33H,7-8,10,26H2,1-2H3.
What are the key properties of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-(trifluoromethyl)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)-3-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone has a molecular weight of 471.44 g/mol, XLogP of 3.20, 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)-3-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is sourced from PubChem (CID 175942114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).