(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone

C20H20N4O2 — CID 126834615

IUPAC(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone
SMILESCc1cc(C(=O)N2CC3(CCC3)C2c2cccnc2)c2c(C)noc2n1
InChIInChI=1S/C20H20N4O2/c1-12-9-15(16-13(2)23-26-18(16)22-12)19(25)24-11-20(6-4-7-20)17(24)14-5-3-8-21-10-14/h3,5,8-10,17H,4,6-7,11H2,1-2H3
InChIKeyGYPPVPBUQXEILQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.60
Rot. Bonds2

About (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone (PubChem CID 126834615) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone.

Molecular Properties

Compound Name(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone
PubChem CID126834615
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone
SMILESCc1cc(C(=O)N2CC3(CCC3)C2c2cccnc2)c2c(C)noc2n1
InChIInChI=1S/C20H20N4O2/c1-12-9-15(16-13(2)23-26-18(16)22-12)19(25)24-11-20(6-4-7-20)17(24)14-5-3-8-21-10-14/h3,5,8-10,17H,4,6-7,11H2,1-2H3
InChIKeyGYPPVPBUQXEILQ-UHFFFAOYSA-N
XLogP3.60
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone with MolForge

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Related Compounds

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730112
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
CID 138378341
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95294918
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95294919
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 72853895
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 110114134
[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-phenylmethanone
CID 18133209
6-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119135858
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 35270139
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 52996803
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95342323
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124973918

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone?
The IUPAC name of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone (CID 126834615) is (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone.
What is the SMILES notation for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone?
The canonical SMILES for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone is Cc1cc(C(=O)N2CC3(CCC3)C2c2cccnc2)c2c(C)noc2n1.
What is the InChIKey of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone?
The InChIKey is GYPPVPBUQXEILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12-9-15(16-13(2)23-26-18(16)22-12)19(25)24-11-20(6-4-7-20)17(24)14-5-3-8-21-10-14/h3,5,8-10,17H,4,6-7,11H2,1-2H3.
What are the key properties of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone?
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone is sourced from PubChem (CID 126834615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).