1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H25N5O4 — CID 165419858

IUPAC1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)NC(=O)C12CCN(C(=O)c1n[nH]c3c1COCC3)CC2
InChIInChI=1S/C18H25N5O4/c1-11(2)9-23-17(26)19-16(25)18(23)4-6-22(7-5-18)15(24)14-12-10-27-8-3-13(12)20-21-14/h11H,3-10H2,1-2H3,(H,20,21)(H,19,25,26)
InChIKeyHASWHRVIHAHBFN-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.67
Rot. Bonds3

About 1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165419858) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165419858
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)NC(=O)C12CCN(C(=O)c1n[nH]c3c1COCC3)CC2
InChIInChI=1S/C18H25N5O4/c1-11(2)9-23-17(26)19-16(25)18(23)4-6-22(7-5-18)15(24)14-12-10-27-8-3-13(12)20-21-14/h11H,3-10H2,1-2H3,(H,20,21)(H,19,25,26)
InChIKeyHASWHRVIHAHBFN-UHFFFAOYSA-N
XLogP0.67
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

6-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 91834946
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 135088266
spiro[indene-1,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 119072765
[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 170509582
8-(5-chloropyridine-2-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427661
8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165425311
8-[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165420546
formic acid;1-(2-methylpropyl)-8-[5-(oxolan-2-yl)thiophene-2-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 171325661
(2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 84577583
(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 154569768
1-[(3R,4S)-4-hydroxy-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134701366
[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 137336977

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165419858) is 1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)NC(=O)C12CCN(C(=O)c1n[nH]c3c1COCC3)CC2.
What is the InChIKey of 1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HASWHRVIHAHBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-11(2)9-23-17(26)19-16(25)18(23)4-6-22(7-5-18)15(24)14-12-10-27-8-3-13(12)20-21-14/h11H,3-10H2,1-2H3,(H,20,21)(H,19,25,26).
What are the key properties of 1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-8-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165419858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).