[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone

C21H30N4O2 — CID 120570635

IUPAC[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)C1C
InChIInChI=1S/C21H30N4O2/c1-12-13(2)25(9-8-22-12)20(26)15-10-16(14-6-7-14)23-19-18(15)17(24-27-19)11-21(3,4)5/h10,12-14,22H,6-9,11H2,1-5H3
InChIKeyDDXDMNOWFBWTCS-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.51
Rot. Bonds3

About [6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone

[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120570635) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120570635
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)C1C
InChIInChI=1S/C21H30N4O2/c1-12-13(2)25(9-8-22-12)20(26)15-10-16(14-6-7-14)23-19-18(15)17(24-27-19)11-21(3,4)5/h10,12-14,22H,6-9,11H2,1-5H3
InChIKeyDDXDMNOWFBWTCS-UHFFFAOYSA-N
XLogP3.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635024
2-[1-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]acetic acid
CID 120515436
(3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 119377261
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538539
(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120569385
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 95192006
[3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119592829
(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120572778
(3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 99816574
(2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 120571521
6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119504737
N-(4-aminocyclohexyl)-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119474529

Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone (CID 120570635) is [6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone is CC1NCCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)C1C.
What is the InChIKey of [6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is DDXDMNOWFBWTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-12-13(2)25(9-8-22-12)20(26)15-10-16(14-6-7-14)23-19-18(15)17(24-27-19)11-21(3,4)5/h10,12-14,22H,6-9,11H2,1-5H3.
What are the key properties of [6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 370.50 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120570635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).