(5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone

C18H21N5O2 — CID 110118698

IUPAC(5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCCC(c3ccc4cn[nH]c4n3)C2)no1
InChIInChI=1S/C18H21N5O2/c1-2-4-14-9-16(22-25-14)18(24)23-8-3-5-13(11-23)15-7-6-12-10-19-21-17(12)20-15/h6-7,9-10,13H,2-5,8,11H2,1H3,(H,19,20,21)
InChIKeyPDPKQEFAUGTKEP-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.92
Rot. Bonds4

About (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone

(5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone (PubChem CID 110118698) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
PubChem CID110118698
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCCC(c3ccc4cn[nH]c4n3)C2)no1
InChIInChI=1S/C18H21N5O2/c1-2-4-14-9-16(22-25-14)18(24)23-8-3-5-13(11-23)15-7-6-12-10-19-21-17(12)20-15/h6-7,9-10,13H,2-5,8,11H2,1H3,(H,19,20,21)
InChIKeyPDPKQEFAUGTKEP-UHFFFAOYSA-N
XLogP2.92
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124971670
N,N-dimethyl-5-[(3S)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124953653
[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124972241
[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 124963907
(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118701
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
(5-propyl-1,2-oxazol-3-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124986927
1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110118699
2-(4-methoxyphenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]ethanone
CID 110118665
(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124981162
(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 22427573
3-(2-fluorophenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110118717

Frequently Asked Questions

What is the IUPAC name of (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone (CID 110118698) is (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone is CCCc1cc(C(=O)N2CCCC(c3ccc4cn[nH]c4n3)C2)no1.
What is the InChIKey of (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The InChIKey is PDPKQEFAUGTKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-4-14-9-16(22-25-14)18(24)23-8-3-5-13(11-23)15-7-6-12-10-19-21-17(12)20-15/h6-7,9-10,13H,2-5,8,11H2,1H3,(H,19,20,21).
What are the key properties of (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
(5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110118698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).