5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride

C17H26ClN5O3 — CID 154923201

IUPAC5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride
SMILESCN1CCn2nc(C(=O)NC3CCCOC34CCNCC4)cc2C1=O.Cl
InChIInChI=1S/C17H25N5O3.ClH/c1-21-8-9-22-13(16(21)24)11-12(20-22)15(23)19-14-3-2-10-25-17(14)4-6-18-7-5-17;/h11,14,18H,2-10H2,1H3,(H,19,23);1H
InChIKeyVOLHCWLQWFCDKC-UHFFFAOYSA-N
MW383.88 g/mol
LogP0.42
Rot. Bonds2

About 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride

5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride (PubChem CID 154923201) has the molecular formula C17H26ClN5O3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride
PubChem CID154923201
Molecular FormulaC17H26ClN5O3
Molecular Weight383.88 g/mol
Exact Mass383.17
IUPAC Name5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride
SMILESCN1CCn2nc(C(=O)NC3CCCOC34CCNCC4)cc2C1=O.Cl
InChIInChI=1S/C17H25N5O3.ClH/c1-21-8-9-22-13(16(21)24)11-12(20-22)15(23)19-14-3-2-10-25-17(14)4-6-18-7-5-17;/h11,14,18H,2-10H2,1H3,(H,19,23);1H
InChIKeyVOLHCWLQWFCDKC-UHFFFAOYSA-N
XLogP0.42
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(3S,4S)-4-hydroxy-4,9-dimethyl-1-oxa-9-azaspiro[5.5]undecan-3-yl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 169422181
5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146046210
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 155940223
2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 137336157
3-hydroxy-4-methoxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 137335440
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
CID 172910020
5-methyl-4-oxo-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154570551
N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154822247
5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465668
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 163306220
(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743317
6-N-cycloheptyl-2-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758545

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride (CID 154923201) is 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride is CN1CCn2nc(C(=O)NC3CCCOC34CCNCC4)cc2C1=O.Cl.
What is the InChIKey of 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride?
The InChIKey is VOLHCWLQWFCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3.ClH/c1-21-8-9-22-13(16(21)24)11-12(20-22)15(23)19-14-3-2-10-25-17(14)4-6-18-7-5-17;/h11,14,18H,2-10H2,1H3,(H,19,23);1H.
What are the key properties of 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride?
5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154923201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).