4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C30H30F3N7O3 — CID 146530525

IUPAC4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)(O)C(=O)NC12CCC(c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)(CC1)C2
InChIInChI=1S/C30H30F3N7O3/c1-27(2,43)26(42)39-29-10-8-28(16-29,9-11-29)25-38-21(22-23(34)36-13-14-40(22)25)17-3-5-18(6-4-17)24(41)37-20-15-19(7-12-35-20)30(31,32)33/h3-7,12-15,43H,8-11,16H2,1-2H3,(H2,34,36)(H,39,42)(H,35,37,41)
InChIKeyOJIHZTPCDBYEDW-UHFFFAOYSA-N
MW593.61 g/mol
LogP4.49
Rot. Bonds6

About 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 146530525) has the molecular formula C30H30F3N7O3 and a molecular weight of 593.61 g/mol. Its IUPAC name is 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID146530525
Molecular FormulaC30H30F3N7O3
Molecular Weight593.61 g/mol
Exact Mass593.24
IUPAC Name4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)(O)C(=O)NC12CCC(c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)(CC1)C2
InChIInChI=1S/C30H30F3N7O3/c1-27(2,43)26(42)39-29-10-8-28(16-29,9-11-29)25-38-21(22-23(34)36-13-14-40(22)25)17-3-5-18(6-4-17)24(41)37-20-15-19(7-12-35-20)30(31,32)33/h3-7,12-15,43H,8-11,16H2,1-2H3,(H2,34,36)(H,39,42)(H,35,37,41)
InChIKeyOJIHZTPCDBYEDW-UHFFFAOYSA-N
XLogP4.49
TPSA147.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.61
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 146530525) is 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CC(C)(O)C(=O)NC12CCC(c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)(CC1)C2.
What is the InChIKey of 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is OJIHZTPCDBYEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N7O3/c1-27(2,43)26(42)39-29-10-8-28(16-29,9-11-29)25-38-21(22-23(34)36-13-14-40(22)25)17-3-5-18(6-4-17)24(41)37-20-15-19(7-12-35-20)30(31,32)33/h3-7,12-15,43H,8-11,16H2,1-2H3,(H2,34,36)(H,39,42)(H,35,37,41).
What are the key properties of 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 593.61 g/mol, XLogP of 4.49, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[4-[(2-hydroxy-2-methylpropanoyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146530525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).