N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C30H29F3N4O3 — CID 154688818

IUPACN-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cnccc2OCC2CCOCC2)cn1
InChIInChI=1S/C30H29F3N4O3/c1-20-5-6-25(36-29(38)14-22-3-2-4-24(13-22)30(31,32)33)15-27(20)37-18-23(16-35-37)26-17-34-10-7-28(26)40-19-21-8-11-39-12-9-21/h2-7,10,13,15-18,21H,8-9,11-12,14,19H2,1H3,(H,36,38)
InChIKeyMJLSEBAMPKNXCH-UHFFFAOYSA-N
MW550.58 g/mol
LogP6.25
Rot. Bonds8

About N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 154688818) has the molecular formula C30H29F3N4O3 and a molecular weight of 550.58 g/mol. Its IUPAC name is N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID154688818
Molecular FormulaC30H29F3N4O3
Molecular Weight550.58 g/mol
Exact Mass550.22
IUPAC NameN-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cnccc2OCC2CCOCC2)cn1
InChIInChI=1S/C30H29F3N4O3/c1-20-5-6-25(36-29(38)14-22-3-2-4-24(13-22)30(31,32)33)15-27(20)37-18-23(16-35-37)26-17-34-10-7-28(26)40-19-21-8-11-39-12-9-21/h2-7,10,13,15-18,21H,8-9,11-12,14,19H2,1H3,(H,36,38)
InChIKeyMJLSEBAMPKNXCH-UHFFFAOYSA-N
XLogP6.25
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.58
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide 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-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688798
N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 154688748
N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide
CID 166921704
N-[3-[4-[4-(4-hydroxybutoxy)-3-pyridinyl]pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 154688821
3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline
CID 167147889
N-[4-methyl-3-[4-[4-(1-methylsulfonylazetidin-3-yl)oxy-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688681
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[4-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]benzamide
CID 154688829
4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine
CID 166921650
3-[[1-[5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 56838868
N-[3-[4-(6-amino-3-pyridinyl)pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 165113852
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 86961784
N-[4-methyl-3-[4-[5-(oxolan-3-ylmethoxy)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 166921619

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 154688818) is N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cnccc2OCC2CCOCC2)cn1.
What is the InChIKey of N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MJLSEBAMPKNXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N4O3/c1-20-5-6-25(36-29(38)14-22-3-2-4-24(13-22)30(31,32)33)15-27(20)37-18-23(16-35-37)26-17-34-10-7-28(26)40-19-21-8-11-39-12-9-21/h2-7,10,13,15-18,21H,8-9,11-12,14,19H2,1H3,(H,36,38).
What are the key properties of N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 550.58 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 154688818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).