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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C34H30F3N7O3 — CID 77106865

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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OCc3ccccc3)c12
InChIInChI=1S/C34H30F3N7O3/c35-34(36,37)23-12-13-39-27(17-23)41-33(46)21-7-10-25(26(16-21)47-19-20-4-2-1-3-5-20)29-30-31(38)40-14-15-43(30)32(42-29)22-6-8-24-9-11-28(45)44(24)18-22/h1-5,7,10,12-17,22,24H,6,8-9,11,18-19H2,(H2,38,40)(H,39,41,46)/t22-,24+/m1/s1
InChIKeyUHUMYMFIVGBQOX-VWNXMTODSA-N
MW641.65 g/mol
LogP6.09
Rot. Bonds7

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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 77106865) has the molecular formula C34H30F3N7O3 and a molecular weight of 641.65 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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID77106865
Molecular FormulaC34H30F3N7O3
Molecular Weight641.65 g/mol
Exact Mass641.24
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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OCc3ccccc3)c12
InChIInChI=1S/C34H30F3N7O3/c35-34(36,37)23-12-13-39-27(17-23)41-33(46)21-7-10-25(26(16-21)47-19-20-4-2-1-3-5-20)29-30-31(38)40-14-15-43(30)32(42-29)22-6-8-24-9-11-28(45)44(24)18-22/h1-5,7,10,12-17,22,24H,6,8-9,11,18-19H2,(H2,38,40)(H,39,41,46)/t22-,24+/m1/s1
InChIKeyUHUMYMFIVGBQOX-VWNXMTODSA-N
XLogP6.09
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.65
LogP ≤ 56.09
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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 77106865) 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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OCc3ccccc3)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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is UHUMYMFIVGBQOX-VWNXMTODSA-N. The full InChI is InChI=1S/C34H30F3N7O3/c35-34(36,37)23-12-13-39-27(17-23)41-33(46)21-7-10-25(26(16-21)47-19-20-4-2-1-3-5-20)29-30-31(38)40-14-15-43(30)32(42-29)22-6-8-24-9-11-28(45)44(24)18-22/h1-5,7,10,12-17,22,24H,6,8-9,11,18-19H2,(H2,38,40)(H,39,41,46)/t22-,24+/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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 641.65 g/mol, XLogP of 6.09, 7 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]-3-phenylmethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 77106865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).