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

C19H29N5O4 — CID 169422181

IUPACN-[(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
SMILESCN1CCC2(CC1)C[C@](C)(O)[C@@H](NC(=O)c1cc3n(n1)CCN(C)C3=O)CO2
InChIInChI=1S/C19H29N5O4/c1-18(27)12-19(4-6-22(2)7-5-19)28-11-15(18)20-16(25)13-10-14-17(26)23(3)8-9-24(14)21-13/h10,15,27H,4-9,11-12H2,1-3H3,(H,20,25)/t15-,18-/m0/s1
InChIKeyQMVGVWIDMKELGF-YJBOKZPZSA-N
MW391.47 g/mol
LogP-0.30
Rot. Bonds2

About 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

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 (PubChem CID 169422181) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID169422181
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC NameN-[(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
SMILESCN1CCC2(CC1)C[C@](C)(O)[C@@H](NC(=O)c1cc3n(n1)CCN(C)C3=O)CO2
InChIInChI=1S/C19H29N5O4/c1-18(27)12-19(4-6-22(2)7-5-19)28-11-15(18)20-16(25)13-10-14-17(26)23(3)8-9-24(14)21-13/h10,15,27H,4-9,11-12H2,1-3H3,(H,20,25)/t15-,18-/m0/s1
InChIKeyQMVGVWIDMKELGF-YJBOKZPZSA-N
XLogP-0.30
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
N-[(3S,4S)-4-hydroxy-4-methyl-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 169418022
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
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-methyl-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146046210
2-[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043523
formic acid;N-[(3S,4S)-4-hydroxy-4-methyl-9-(3,3,3-trifluoropropyl)-1-oxa-9-azaspiro[5.5]undecan-3-yl]benzamide
CID 171711278
N-[(3S,4S)-4-hydroxy-4-methyl-9-(1,6-naphthyridin-5-yl)-1-oxa-9-azaspiro[5.5]undecan-3-yl]cyclopropanecarboxamide
CID 164699844
N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146040508
2-methyl-8-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 146041793
N-[(3S,4S)-9-[(5-cyano-1H-pyrrol-3-yl)methyl]-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-3-yl]furan-3-carboxamide
CID 169411648
N-[(3S,4S)-4-hydroxy-4-methyl-9-(pyridazine-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-3-yl]cyclobutanecarboxamide
CID 165426143

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC2(CC1)C[C@](C)(O)[C@@H](NC(=O)c1cc3n(n1)CCN(C)C3=O)CO2.
What is the InChIKey of 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?
The InChIKey is QMVGVWIDMKELGF-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-18(27)12-19(4-6-22(2)7-5-19)28-11-15(18)20-16(25)13-10-14-17(26)23(3)8-9-24(14)21-13/h10,15,27H,4-9,11-12H2,1-3H3,(H,20,25)/t15-,18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 391.47 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169422181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).