[3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride

C22H33ClN4O2 — CID 119592829

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)C1.Cl
InChIInChI=1S/C22H32N4O2.ClH/c1-13(23)15-6-5-9-26(12-15)21(27)16-10-17(14-7-8-14)24-20-19(16)18(25-28-20)11-22(2,3)4;/h10,13-15H,5-9,11-12,23H2,1-4H3;1H
InChIKeyWBMXZLDMVKLBSG-UHFFFAOYSA-N
MW420.99 g/mol
LogP4.31
Rot. Bonds4

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

[3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride (PubChem CID 119592829) has the molecular formula C22H33ClN4O2 and a molecular weight of 420.99 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
PubChem CID119592829
Molecular FormulaC22H33ClN4O2
Molecular Weight420.99 g/mol
Exact Mass420.23
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)C1.Cl
InChIInChI=1S/C22H32N4O2.ClH/c1-13(23)15-6-5-9-26(12-15)21(27)16-10-17(14-7-8-14)24-20-19(16)18(25-28-20)11-22(2,3)4;/h10,13-15H,5-9,11-12,23H2,1-4H3;1H
InChIKeyWBMXZLDMVKLBSG-UHFFFAOYSA-N
XLogP4.31
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.99
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride with MolForge

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Related Compounds

(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]-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 95192006
[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
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538539
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-(1-aminoethyl)piperidin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 119593321
[3-(aminomethyl)pyrrolidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119486013
[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 119595298
[2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119436695
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 40875796
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570635
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 [3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride?
The IUPAC name of [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) is [3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride is CC(N)C1CCCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride?
The InChIKey is WBMXZLDMVKLBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2.ClH/c1-13(23)15-6-5-9-26(12-15)21(27)16-10-17(14-7-8-14)24-20-19(16)18(25-28-20)11-22(2,3)4;/h10,13-15H,5-9,11-12,23H2,1-4H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride has a molecular weight of 420.99 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119592829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).