4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C20H23FN4O3 — CID 134807201

IUPAC4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCn1nccc1C(=O)N1CCC2(CC1)OCCN(Cc1ccccc1F)C2=O
InChIInChI=1S/C20H23FN4O3/c1-23-17(6-9-22-23)18(26)24-10-7-20(8-11-24)19(27)25(12-13-28-20)14-15-4-2-3-5-16(15)21/h2-6,9H,7-8,10-14H2,1H3
InChIKeyLNGJDSCJAAIHQM-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.59
Rot. Bonds3

About 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 134807201) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID134807201
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCn1nccc1C(=O)N1CCC2(CC1)OCCN(Cc1ccccc1F)C2=O
InChIInChI=1S/C20H23FN4O3/c1-23-17(6-9-22-23)18(26)24-10-7-20(8-11-24)19(27)25(12-13-28-20)14-15-4-2-3-5-16(15)21/h2-6,9H,7-8,10-14H2,1H3
InChIKeyLNGJDSCJAAIHQM-UHFFFAOYSA-N
XLogP1.59
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-Tert-butyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-morpholin-4-ylmethanone
CID 2747308
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
Tert-butyl 4-[1-(3-fluorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16023950
(2-Methylpyrazol-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 6464895
(4-benzylpiperidin-1-yl)(1-methyl-1H-pyrazol-5-yl)methanone
CID 6468689
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 24820103
2-methyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 117609583
N,N-dimethyl-1-(4-(2-morpholino-4-(trifluoromethyl)-benzyl)-piperazine-1-carbonyl)-1H-pyrazole-3-carboxamide
CID 135384646
US11142526, Example 91
CID 137533222
1-(2-methylphenyl)-4-{1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}piperazine
CID 24790603
2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide
CID 24791660

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 134807201) is 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is Cn1nccc1C(=O)N1CCC2(CC1)OCCN(Cc1ccccc1F)C2=O.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is LNGJDSCJAAIHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-23-17(6-9-22-23)18(26)24-10-7-20(8-11-24)19(27)25(12-13-28-20)14-15-4-2-3-5-16(15)21/h2-6,9H,7-8,10-14H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 386.43 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-9-(2-methylpyrazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134807201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).