N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide

C30H25F3N8O2S — CID 146530193

IUPACN-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide
SMILESNc1nccn2c(C34CCC(NC(=O)c5nccs5)(CC3)C4)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C30H25F3N8O2S/c31-30(32,33)19-5-10-35-20(15-19)38-24(42)18-3-1-17(2-4-18)21-22-23(34)36-11-13-41(22)27(39-21)28-6-8-29(16-28,9-7-28)40-25(43)26-37-12-14-44-26/h1-5,10-15H,6-9,16H2,(H2,34,36)(H,40,43)(H,35,38,42)
InChIKeyMFFYARSBDVGVCG-UHFFFAOYSA-N
MW618.65 g/mol
LogP5.49
Rot. Bonds6

About N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide

N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide (PubChem CID 146530193) has the molecular formula C30H25F3N8O2S and a molecular weight of 618.65 g/mol. Its IUPAC name is N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide
PubChem CID146530193
Molecular FormulaC30H25F3N8O2S
Molecular Weight618.65 g/mol
Exact Mass618.18
IUPAC NameN-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide
SMILESNc1nccn2c(C34CCC(NC(=O)c5nccs5)(CC3)C4)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C30H25F3N8O2S/c31-30(32,33)19-5-10-35-20(15-19)38-24(42)18-3-1-17(2-4-18)21-22-23(34)36-11-13-41(22)27(39-21)28-6-8-29(16-28,9-7-28)40-25(43)26-37-12-14-44-26/h1-5,10-15H,6-9,16H2,(H2,34,36)(H,40,43)(H,35,38,42)
InChIKeyMFFYARSBDVGVCG-UHFFFAOYSA-N
XLogP5.49
TPSA140.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.65
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide (CID 146530193) is N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide is Nc1nccn2c(C34CCC(NC(=O)c5nccs5)(CC3)C4)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.
What is the InChIKey of N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide?
The InChIKey is MFFYARSBDVGVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N8O2S/c31-30(32,33)19-5-10-35-20(15-19)38-24(42)18-3-1-17(2-4-18)21-22-23(34)36-11-13-41(22)27(39-21)28-6-8-29(16-28,9-7-28)40-25(43)26-37-12-14-44-26/h1-5,10-15H,6-9,16H2,(H2,34,36)(H,40,43)(H,35,38,42).
What are the key properties of N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide?
N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide has a molecular weight of 618.65 g/mol, XLogP of 5.49, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 146530193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).