1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide

C17H21N5O3 — CID 154784649

IUPAC1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide
SMILESCOc1cccnc1N1CCC2(CC1)Cn1nc(C(N)=O)cc1CO2
InChIInChI=1S/C17H21N5O3/c1-24-14-3-2-6-19-16(14)21-7-4-17(5-8-21)11-22-12(10-25-17)9-13(20-22)15(18)23/h2-3,6,9H,4-5,7-8,10-11H2,1H3,(H2,18,23)
InChIKeyVZKKIDDNCATXIE-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.95
Rot. Bonds3

About 1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide

1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide (PubChem CID 154784649) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound Name1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide
PubChem CID154784649
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide
SMILESCOc1cccnc1N1CCC2(CC1)Cn1nc(C(N)=O)cc1CO2
InChIInChI=1S/C17H21N5O3/c1-24-14-3-2-6-19-16(14)21-7-4-17(5-8-21)11-22-12(10-25-17)9-13(20-22)15(18)23/h2-3,6,9H,4-5,7-8,10-11H2,1H3,(H2,18,23)
InChIKeyVZKKIDDNCATXIE-UHFFFAOYSA-N
XLogP0.95
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide?
The IUPAC name of 1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide (CID 154784649) is 1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide.
What is the SMILES notation for 1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide?
The canonical SMILES for 1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide is COc1cccnc1N1CCC2(CC1)Cn1nc(C(N)=O)cc1CO2.
What is the InChIKey of 1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide?
The InChIKey is VZKKIDDNCATXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-24-14-3-2-6-19-16(14)21-7-4-17(5-8-21)11-22-12(10-25-17)9-13(20-22)15(18)23/h2-3,6,9H,4-5,7-8,10-11H2,1H3,(H2,18,23).
What are the key properties of 1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide?
1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 154784649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).