5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

C27H24ClF3N8O2 — CID 121456292

IUPAC5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ncc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12
InChIInChI=1S/C27H24ClF3N8O2/c1-13-8-18(26(41)36-20-9-15(6-7-33-20)27(29,30)31)34-10-17(13)22-23-24(32)35-11-19(28)39(23)25(37-22)14-2-3-16-4-5-21(40)38(16)12-14/h6-11,14,16H,2-5,12H2,1H3,(H2,32,35)(H,33,36,41)/t14-,16+/m1/s1
InChIKeyOUELXOLWEOJPQU-ZBFHGGJFSA-N
MW584.99 g/mol
LogP4.87
Rot. Bonds4

About 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 121456292) has the molecular formula C27H24ClF3N8O2 and a molecular weight of 584.99 g/mol. Its IUPAC name is 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID121456292
Molecular FormulaC27H24ClF3N8O2
Molecular Weight584.99 g/mol
Exact Mass584.17
IUPAC Name5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ncc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12
InChIInChI=1S/C27H24ClF3N8O2/c1-13-8-18(26(41)36-20-9-15(6-7-33-20)27(29,30)31)34-10-17(13)22-23-24(32)35-11-19(28)39(23)25(37-22)14-2-3-16-4-5-21(40)38(16)12-14/h6-11,14,16H,2-5,12H2,1H3,(H2,32,35)(H,33,36,41)/t14-,16+/m1/s1
InChIKeyOUELXOLWEOJPQU-ZBFHGGJFSA-N
XLogP4.87
TPSA131.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.99
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (CID 121456292) is 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ncc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12.
What is the InChIKey of 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is OUELXOLWEOJPQU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C27H24ClF3N8O2/c1-13-8-18(26(41)36-20-9-15(6-7-33-20)27(29,30)31)34-10-17(13)22-23-24(32)35-11-19(28)39(23)25(37-22)14-2-3-16-4-5-21(40)38(16)12-14/h6-11,14,16H,2-5,12H2,1H3,(H2,32,35)(H,33,36,41)/t14-,16+/m1/s1.
What are the key properties of 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 584.99 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 121456292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).