N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C17H23F2N5O3 — CID 154855025

IUPACN-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC1(C)NC(=O)OC12CCN(C(=O)NCc1ccnn1C1CC1(F)F)CC2
InChIInChI=1S/C17H23F2N5O3/c1-15(2)16(27-14(26)22-15)4-7-23(8-5-16)13(25)20-10-11-3-6-21-24(11)12-9-17(12,18)19/h3,6,12H,4-5,7-10H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyAGZKRRIGCYLNJE-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.03
Rot. Bonds3

About N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 154855025) has the molecular formula C17H23F2N5O3 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID154855025
Molecular FormulaC17H23F2N5O3
Molecular Weight383.40 g/mol
Exact Mass383.18
IUPAC NameN-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC1(C)NC(=O)OC12CCN(C(=O)NCc1ccnn1C1CC1(F)F)CC2
InChIInChI=1S/C17H23F2N5O3/c1-15(2)16(27-14(26)22-15)4-7-23(8-5-16)13(25)20-10-11-3-6-21-24(11)12-9-17(12,18)19/h3,6,12H,4-5,7-10H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyAGZKRRIGCYLNJE-UHFFFAOYSA-N
XLogP2.03
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 166285058
4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63303555
2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79605623
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 63302884
(5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126444714
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
4-[1-(4,4-dimethyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-1-oxopropan-2-yl]benzonitrile
CID 167889422
N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 167872551
(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72873328
3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
CID 138010574
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147322

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 154855025) is N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is CC1(C)NC(=O)OC12CCN(C(=O)NCc1ccnn1C1CC1(F)F)CC2.
What is the InChIKey of N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is AGZKRRIGCYLNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5O3/c1-15(2)16(27-14(26)22-15)4-7-23(8-5-16)13(25)20-10-11-3-6-21-24(11)12-9-17(12,18)19/h3,6,12H,4-5,7-10H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 154855025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).