(3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one

C20H26N4O3 — CID 99816574

IUPAC(3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)N3CCNC(=O)[C@H]3C(C)C)c12
InChIInChI=1S/C20H26N4O3/c1-4-5-14-16-13(10-15(12-6-7-12)22-19(16)27-23-14)20(26)24-9-8-21-18(25)17(24)11(2)3/h10-12,17H,4-9H2,1-3H3,(H,21,25)/t17-/m1/s1
InChIKeyDZWWSOYRKAZWJO-QGZVFWFLSA-N
MW370.45 g/mol
LogP2.65
Rot. Bonds5

About (3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one

(3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one (PubChem CID 99816574) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one
PubChem CID99816574
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)N3CCNC(=O)[C@H]3C(C)C)c12
InChIInChI=1S/C20H26N4O3/c1-4-5-14-16-13(10-15(12-6-7-12)22-19(16)27-23-14)20(26)24-9-8-21-18(25)17(24)11(2)3/h10-12,17H,4-9H2,1-3H3,(H,21,25)/t17-/m1/s1
InChIKeyDZWWSOYRKAZWJO-QGZVFWFLSA-N
XLogP2.65
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.65
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
[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-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94112279
(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
[3-(aminomethyl)pyrrolidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119486013
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 119348501
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570635
(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368132
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid
CID 119346057
6-cyclopropyl-3-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119513187
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119607900
6-cyclopropyl-N-(3-methylpiperidin-4-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120553846

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one?
The IUPAC name of (3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one (CID 99816574) is (3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for (3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one is CCCc1noc2nc(C3CC3)cc(C(=O)N3CCNC(=O)[C@H]3C(C)C)c12.
What is the InChIKey of (3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one?
The InChIKey is DZWWSOYRKAZWJO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-5-14-16-13(10-15(12-6-7-12)22-19(16)27-23-14)20(26)24-9-8-21-18(25)17(24)11(2)3/h10-12,17H,4-9H2,1-3H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one?
(3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 99816574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).