8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one

C22H17N3O2S — CID 57264116

IUPAC8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one
SMILESCc1csc(-c2cc(OCc3ccccc3)c3n(c2=O)Cc2ccncc2-3)n1
InChIInChI=1S/C22H17N3O2S/c1-14-13-28-21(24-14)17-9-19(27-12-15-5-3-2-4-6-15)20-18-10-23-8-7-16(18)11-25(20)22(17)26/h2-10,13H,11-12H2,1H3
InChIKeyKJHODNCSFQFYNN-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.28
Rot. Bonds4

About 8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one

8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one (PubChem CID 57264116) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one.

Molecular Properties

Compound Name8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one
PubChem CID57264116
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one
SMILESCc1csc(-c2cc(OCc3ccccc3)c3n(c2=O)Cc2ccncc2-3)n1
InChIInChI=1S/C22H17N3O2S/c1-14-13-28-21(24-14)17-9-19(27-12-15-5-3-2-4-6-15)20-18-10-23-8-7-16(18)11-25(20)22(17)26/h2-10,13H,11-12H2,1H3
InChIKeyKJHODNCSFQFYNN-UHFFFAOYSA-N
XLogP4.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one?
The IUPAC name of 8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one (CID 57264116) is 8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one.
What is the SMILES notation for 8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one?
The canonical SMILES for 8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one is Cc1csc(-c2cc(OCc3ccccc3)c3n(c2=O)Cc2ccncc2-3)n1.
What is the InChIKey of 8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one?
The InChIKey is KJHODNCSFQFYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c1-14-13-28-21(24-14)17-9-19(27-12-15-5-3-2-4-6-15)20-18-10-23-8-7-16(18)11-25(20)22(17)26/h2-10,13H,11-12H2,1H3.
What are the key properties of 8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one?
8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one has a molecular weight of 387.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one is sourced from PubChem (CID 57264116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).