(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone

C18H26F2N4O — CID 98896525

IUPAC(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
SMILESCc1nn(C)cc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1
InChIInChI=1S/C18H26F2N4O/c1-13-14(8-22(2)21-13)9-23-7-6-17(10-23)5-3-4-15(17)16(25)24-11-18(19,20)12-24/h8,15H,3-7,9-12H2,1-2H3/t15-,17-/m1/s1
InChIKeyRUZRTZXNRVMUPY-NVXWUHKLSA-N
MW352.43 g/mol
LogP2.20
Rot. Bonds3

About (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone

(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone (PubChem CID 98896525) has the molecular formula C18H26F2N4O and a molecular weight of 352.43 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
PubChem CID98896525
Molecular FormulaC18H26F2N4O
Molecular Weight352.43 g/mol
Exact Mass352.21
IUPAC Name(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
SMILESCc1nn(C)cc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1
InChIInChI=1S/C18H26F2N4O/c1-13-14(8-22(2)21-13)9-23-7-6-17(10-23)5-3-4-15(17)16(25)24-11-18(19,20)12-24/h8,15H,3-7,9-12H2,1-2H3/t15-,17-/m1/s1
InChIKeyRUZRTZXNRVMUPY-NVXWUHKLSA-N
XLogP2.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone with MolForge

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Related Compounds

N~1~-[(1-Ethyl-3-methyl-1H-pyrazol-4-YL)methyl]-2-isopropyl-N~1~-methyl-3-oxo-2-azaspiro[3.4]octane-1-carboxamide
CID 91925470
(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-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896218
(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)-[(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
(5S,9S)-N-(3,3-difluorocyclobutyl)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896770

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone (CID 98896525) is (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone is Cc1nn(C)cc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?
The InChIKey is RUZRTZXNRVMUPY-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H26F2N4O/c1-13-14(8-22(2)21-13)9-23-7-6-17(10-23)5-3-4-15(17)16(25)24-11-18(19,20)12-24/h8,15H,3-7,9-12H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone is sourced from PubChem (CID 98896525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).