(5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide

C19H28F2N4O — CID 98896218

IUPAC(5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCc1nn(C)cc1CN1CC[C@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1
InChIInChI=1S/C19H28F2N4O/c1-13-14(10-24(2)23-13)11-25-7-6-18(12-25)5-3-4-16(18)17(26)22-15-8-19(20,21)9-15/h10,15-16H,3-9,11-12H2,1-2H3,(H,22,26)/t16-,18-/m1/s1
InChIKeyFBVWUBAWACFBBX-SJLPKXTDSA-N
MW366.46 g/mol
LogP2.63
Rot. Bonds4

About (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide

(5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 98896218) has the molecular formula C19H28F2N4O and a molecular weight of 366.46 g/mol. Its IUPAC name is (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID98896218
Molecular FormulaC19H28F2N4O
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name(5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCc1nn(C)cc1CN1CC[C@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1
InChIInChI=1S/C19H28F2N4O/c1-13-14(10-24(2)23-13)11-25-7-6-18(12-25)5-3-4-16(18)17(26)22-15-8-19(20,21)9-15/h10,15-16H,3-9,11-12H2,1-2H3,(H,22,26)/t16-,18-/m1/s1
InChIKeyFBVWUBAWACFBBX-SJLPKXTDSA-N
XLogP2.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide with MolForge

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Related Compounds

(5S)-2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 164630835
N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
CID 72880673
(5S,9R)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895191
(5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896220
(5R,9S)-N-(3,3-difluorocyclobutyl)-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896221
(3,3-difluoroazetidin-1-yl)-[(5S,9R)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896523
(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896525
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896526
(3,3-difluoroazetidin-1-yl)-[(5R,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896527
(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896562
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896563
(5S,9R)-N-(3,3-difluorocyclobutyl)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896769

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide (CID 98896218) is (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide is Cc1nn(C)cc1CN1CC[C@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1.
What is the InChIKey of (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is FBVWUBAWACFBBX-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H28F2N4O/c1-13-14(10-24(2)23-13)11-25-7-6-18(12-25)5-3-4-16(18)17(26)22-15-8-19(20,21)9-15/h10,15-16H,3-9,11-12H2,1-2H3,(H,22,26)/t16-,18-/m1/s1.
What are the key properties of (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
(5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 98896218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).