[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone

C25H33FN4O2 — CID 91919143

IUPAC[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(N(Cc2ccc(F)cc2)C2CC2)CCO3)n(C)n1
InChIInChI=1S/C25H33FN4O2/c1-18-15-23(28(2)27-18)24(31)29-12-10-25(11-13-29)16-22(9-14-32-25)30(21-7-8-21)17-19-3-5-20(26)6-4-19/h3-6,15,21-22H,7-14,16-17H2,1-2H3
InChIKeyYPRGGPMVGRWTMY-UHFFFAOYSA-N
MW440.56 g/mol
LogP3.69
Rot. Bonds5

About [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone

[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 91919143) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID91919143
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC Name[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(N(Cc2ccc(F)cc2)C2CC2)CCO3)n(C)n1
InChIInChI=1S/C25H33FN4O2/c1-18-15-23(28(2)27-18)24(31)29-12-10-25(11-13-29)16-22(9-14-32-25)30(21-7-8-21)17-19-3-5-20(26)6-4-19/h3-6,15,21-22H,7-14,16-17H2,1-2H3
InChIKeyYPRGGPMVGRWTMY-UHFFFAOYSA-N
XLogP3.69
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone 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

TLX agonist 1
CID 2738508
2-[4-(1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24810973
2-[4-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24812461
3-N-methyl-5-N-(oxan-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418113
5-ethyl-N-[1-(2-fluorobenzyl)-3-piperidyl]-2-methyl-pyrazole-3-carboxamide
CID 24790764
1-{1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24791460
{3-(2,4-difluorobenzyl)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}methanol
CID 45180338
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 24820103
1-(2-methylphenyl)-4-{1-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}piperazine
CID 24790102
1-{1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24790135
2-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazole-3-carboxamide
CID 24791660
[1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-3-(4-fluorobenzyl)-3-piperidinyl]methanol
CID 24816680

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone (CID 91919143) is [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC3(CC2)CC(N(Cc2ccc(F)cc2)C2CC2)CCO3)n(C)n1.
What is the InChIKey of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is YPRGGPMVGRWTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c1-18-15-23(28(2)27-18)24(31)29-12-10-25(11-13-29)16-22(9-14-32-25)30(21-7-8-21)17-19-3-5-20(26)6-4-19/h3-6,15,21-22H,7-14,16-17H2,1-2H3.
What are the key properties of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 440.56 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 91919143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).