N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine

C23H27FN4O — CID 92614504

IUPACN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN(Cc1ccccn1)C[C@@H]1CCCO1
InChIInChI=1S/C23H27FN4O/c1-17-23(18(2)28(26-17)21-10-8-19(24)9-11-21)16-27(15-22-7-5-13-29-22)14-20-6-3-4-12-25-20/h3-4,6,8-12,22H,5,7,13-16H2,1-2H3/t22-/m0/s1
InChIKeyCFMVUUWVQFRTKZ-QFIPXVFZSA-N
MW394.49 g/mol
LogP4.20
Rot. Bonds7

About N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 92614504) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID92614504
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN(Cc1ccccn1)C[C@@H]1CCCO1
InChIInChI=1S/C23H27FN4O/c1-17-23(18(2)28(26-17)21-10-8-19(24)9-11-21)16-27(15-22-7-5-13-29-22)14-20-6-3-4-12-25-20/h3-4,6,8-12,22H,5,7,13-16H2,1-2H3/t22-/m0/s1
InChIKeyCFMVUUWVQFRTKZ-QFIPXVFZSA-N
XLogP4.20
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine 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

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 46979426
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
CID 135112625
3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46982503
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 42878123
N-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 46953983
(2S)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]butan-2-ol
CID 129421360
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135099921
4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 92613637
N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 46983238

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine (CID 92614504) is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine is Cc1nn(-c2ccc(F)cc2)c(C)c1CN(Cc1ccccn1)C[C@@H]1CCCO1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is CFMVUUWVQFRTKZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-17-23(18(2)28(26-17)21-10-8-19(24)9-11-21)16-27(15-22-7-5-13-29-22)14-20-6-3-4-12-25-20/h3-4,6,8-12,22H,5,7,13-16H2,1-2H3/t22-/m0/s1.
What are the key properties of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine?
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 394.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 92614504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).