6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one

C20H20N4O3 — CID 154994337

IUPAC6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one
SMILESCC1Cc2nc(N3COc4cc(C(=O)N5CCCC5)cnc43)ccc2C1=O
InChIInChI=1S/C20H20N4O3/c1-12-8-15-14(18(12)25)4-5-17(22-15)24-11-27-16-9-13(10-21-19(16)24)20(26)23-6-2-3-7-23/h4-5,9-10,12H,2-3,6-8,11H2,1H3
InChIKeyLQXIVRRPBMRPRF-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.58
Rot. Bonds2

About 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one

6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one (PubChem CID 154994337) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one.

Molecular Properties

Compound Name6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one
PubChem CID154994337
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one
SMILESCC1Cc2nc(N3COc4cc(C(=O)N5CCCC5)cnc43)ccc2C1=O
InChIInChI=1S/C20H20N4O3/c1-12-8-15-14(18(12)25)4-5-17(22-15)24-11-27-16-9-13(10-21-19(16)24)20(26)23-6-2-3-7-23/h4-5,9-10,12H,2-3,6-8,11H2,1H3
InChIKeyLQXIVRRPBMRPRF-UHFFFAOYSA-N
XLogP2.58
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one with MolForge

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Related Compounds

[3-(3-chlorophenyl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994284
[3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994307
3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 166887089
methyl 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylate
CID 166887132
[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839
3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
CID 154994400
2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154994166
N,1-dimethyl-6-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]indole-2-carboxamide
CID 167390570
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone
CID 142494924
2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 166886962
5-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydroisoindol-1-one
CID 154995296
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone
CID 139351307

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one?
The IUPAC name of 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one (CID 154994337) is 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one.
What is the SMILES notation for 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one?
The canonical SMILES for 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one is CC1Cc2nc(N3COc4cc(C(=O)N5CCCC5)cnc43)ccc2C1=O.
What is the InChIKey of 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one?
The InChIKey is LQXIVRRPBMRPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-8-15-14(18(12)25)4-5-17(22-15)24-11-27-16-9-13(10-21-19(16)24)20(26)23-6-2-3-7-23/h4-5,9-10,12H,2-3,6-8,11H2,1H3.
What are the key properties of 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one?
6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one has a molecular weight of 364.41 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one is sourced from PubChem (CID 154994337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).