(6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C27H25FN4O3 — CID 135338418

IUPAC(6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCOc1cccc(Oc2ccc(-c3nc([C@@H]4CCC5CCC(=O)N5C4)n4ccncc34)cc2)c1F
InChIInChI=1S/C27H25FN4O3/c1-34-22-3-2-4-23(25(22)28)35-20-10-6-17(7-11-20)26-21-15-29-13-14-31(21)27(30-26)18-5-8-19-9-12-24(33)32(19)16-18/h2-4,6-7,10-11,13-15,18-19H,5,8-9,12,16H2,1H3/t18-,19?/m1/s1
InChIKeyURHMZJXXCSDYMN-MRTLOADZSA-N
MW472.52 g/mol
LogP5.20
Rot. Bonds5

About (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 135338418) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID135338418
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC Name(6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCOc1cccc(Oc2ccc(-c3nc([C@@H]4CCC5CCC(=O)N5C4)n4ccncc34)cc2)c1F
InChIInChI=1S/C27H25FN4O3/c1-34-22-3-2-4-23(25(22)28)35-20-10-6-17(7-11-20)26-21-15-29-13-14-31(21)27(30-26)18-5-8-19-9-12-24(33)32(19)16-18/h2-4,6-7,10-11,13-15,18-19H,5,8-9,12,16H2,1H3/t18-,19?/m1/s1
InChIKeyURHMZJXXCSDYMN-MRTLOADZSA-N
XLogP5.20
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 135338418) is (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is COc1cccc(Oc2ccc(-c3nc([C@@H]4CCC5CCC(=O)N5C4)n4ccncc34)cc2)c1F.
What is the InChIKey of (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is URHMZJXXCSDYMN-MRTLOADZSA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-34-22-3-2-4-23(25(22)28)35-20-10-6-17(7-11-20)26-21-15-29-13-14-31(21)27(30-26)18-5-8-19-9-12-24(33)32(19)16-18/h2-4,6-7,10-11,13-15,18-19H,5,8-9,12,16H2,1H3/t18-,19?/m1/s1.
What are the key properties of (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 472.52 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 135338418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).