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

C20H29ClN4O2 — CID 119436695

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)N3CCCCC3C(C)N)c12.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-3-6-15-18-14(11-16(13-8-9-13)22-19(18)26-23-15)20(25)24-10-5-4-7-17(24)12(2)21;/h11-13,17H,3-10,21H2,1-2H3;1H
InChIKeyGUPBIRYZYXDEBU-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.82
Rot. Bonds5

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

[2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride (PubChem CID 119436695) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
PubChem CID119436695
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)N3CCCCC3C(C)N)c12.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-3-6-15-18-14(11-16(13-8-9-13)22-19(18)26-23-15)20(25)24-10-5-4-7-17(24)12(2)21;/h11-13,17H,3-10,21H2,1-2H3;1H
InChIKeyGUPBIRYZYXDEBU-UHFFFAOYSA-N
XLogP3.82
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 119468617
(3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 99816574
[3-(aminomethyl)pyrrolidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119486013
[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 119435832
(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638024
N-[2-(aminomethyl)cyclohexyl]-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119611474
[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
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 119348501
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119607900
(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368132
methyl 1-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylate
CID 78842938
N-[2-(aminomethyl)cyclopentyl]-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119603784

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride (CID 119436695) is [2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride is CCCc1noc2nc(C3CC3)cc(C(=O)N3CCCCC3C(C)N)c12.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
The InChIKey is GUPBIRYZYXDEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.ClH/c1-3-6-15-18-14(11-16(13-8-9-13)22-19(18)26-23-15)20(25)24-10-5-4-7-17(24)12(2)21;/h11-13,17H,3-10,21H2,1-2H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119436695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).