4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide

C30H31F3N8O2 — CID 90283160

IUPAC4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)n(C5CCCC5)n4)cc3)c12
InChIInChI=1S/C30H31F3N8O2/c31-30(32,33)22-15-23(38-41(22)21-3-1-2-4-21)36-29(43)18-7-5-17(6-8-18)25-26-27(34)35-13-14-39(26)28(37-25)19-9-10-20-11-12-24(42)40(20)16-19/h5-8,13-15,19-21H,1-4,9-12,16H2,(H2,34,35)(H,36,38,43)/t19-,20+/m1/s1
InChIKeyBFUUIRXFTMAMQQ-UXHICEINSA-N
MW592.63 g/mol
LogP5.43
Rot. Bonds5

About 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide (PubChem CID 90283160) has the molecular formula C30H31F3N8O2 and a molecular weight of 592.63 g/mol. Its IUPAC name is 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
PubChem CID90283160
Molecular FormulaC30H31F3N8O2
Molecular Weight592.63 g/mol
Exact Mass592.25
IUPAC Name4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)n(C5CCCC5)n4)cc3)c12
InChIInChI=1S/C30H31F3N8O2/c31-30(32,33)22-15-23(38-41(22)21-3-1-2-4-21)36-29(43)18-7-5-17(6-8-18)25-26-27(34)35-13-14-39(26)28(37-25)19-9-10-20-11-12-24(42)40(20)16-19/h5-8,13-15,19-21H,1-4,9-12,16H2,(H2,34,35)(H,36,38,43)/t19-,20+/m1/s1
InChIKeyBFUUIRXFTMAMQQ-UXHICEINSA-N
XLogP5.43
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.63
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide (CID 90283160) is 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide is Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)n(C5CCCC5)n4)cc3)c12.
What is the InChIKey of 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide?
The InChIKey is BFUUIRXFTMAMQQ-UXHICEINSA-N. The full InChI is InChI=1S/C30H31F3N8O2/c31-30(32,33)22-15-23(38-41(22)21-3-1-2-4-21)36-29(43)18-7-5-17(6-8-18)25-26-27(34)35-13-14-39(26)28(37-25)19-9-10-20-11-12-24(42)40(20)16-19/h5-8,13-15,19-21H,1-4,9-12,16H2,(H2,34,35)(H,36,38,43)/t19-,20+/m1/s1.
What are the key properties of 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide?
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide has a molecular weight of 592.63 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 90283160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).