8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C23H21F3N6O2 — CID 138561392

IUPAC8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC34CC(C#N)(C3)C4)cn12
InChIInChI=1S/C23H21F3N6O2/c1-12-3-4-13(20(2,34)23(24,25)26)5-14(12)16-6-29-18-17(28)30-15(7-32(16)18)19(33)31-22-8-21(9-22,10-22)11-27/h3-7,34H,8-10H2,1-2H3,(H2,28,30)(H,31,33)
InChIKeyJWHPLOMMRKLRSJ-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.23
Rot. Bonds4

About 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138561392) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID138561392
Molecular FormulaC23H21F3N6O2
Molecular Weight470.46 g/mol
Exact Mass470.17
IUPAC Name8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC34CC(C#N)(C3)C4)cn12
InChIInChI=1S/C23H21F3N6O2/c1-12-3-4-13(20(2,34)23(24,25)26)5-14(12)16-6-29-18-17(28)30-15(7-32(16)18)19(33)31-22-8-21(9-22,10-22)11-27/h3-7,34H,8-10H2,1-2H3,(H2,28,30)(H,31,33)
InChIKeyJWHPLOMMRKLRSJ-UHFFFAOYSA-N
XLogP3.23
TPSA129.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 138561392) is 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC34CC(C#N)(C3)C4)cn12.
What is the InChIKey of 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is JWHPLOMMRKLRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c1-12-3-4-13(20(2,34)23(24,25)26)5-14(12)16-6-29-18-17(28)30-15(7-32(16)18)19(33)31-22-8-21(9-22,10-22)11-27/h3-7,34H,8-10H2,1-2H3,(H2,28,30)(H,31,33).
What are the key properties of 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 470.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 138561392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).