N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C29H27F3N4O3 — CID 154688748

IUPACN-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cncc(OC3CCOCC3)c2)cn1
InChIInChI=1S/C29H27F3N4O3/c1-19-5-6-24(35-28(37)12-20-3-2-4-23(11-20)29(30,31)32)14-27(19)36-18-22(16-34-36)21-13-26(17-33-15-21)39-25-7-9-38-10-8-25/h2-6,11,13-18,25H,7-10,12H2,1H3,(H,35,37)
InChIKeyNJMAHWOVHCNBGD-UHFFFAOYSA-N
MW536.55 g/mol
LogP6.00
Rot. Bonds7

About N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 154688748) has the molecular formula C29H27F3N4O3 and a molecular weight of 536.55 g/mol. Its IUPAC name is N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID154688748
Molecular FormulaC29H27F3N4O3
Molecular Weight536.55 g/mol
Exact Mass536.20
IUPAC NameN-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cncc(OC3CCOCC3)c2)cn1
InChIInChI=1S/C29H27F3N4O3/c1-19-5-6-24(35-28(37)12-20-3-2-4-23(11-20)29(30,31)32)14-27(19)36-18-22(16-34-36)21-13-26(17-33-15-21)39-25-7-9-38-10-8-25/h2-6,11,13-18,25H,7-10,12H2,1H3,(H,35,37)
InChIKeyNJMAHWOVHCNBGD-UHFFFAOYSA-N
XLogP6.00
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.55
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 154688818
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-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide
CID 166921704
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[4-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]benzamide
CID 154688829
N-[3-[4-(6-amino-3-pyridinyl)pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 165113852
N-[4-methyl-3-[4-[4-(1-methylsulfonylazetidin-3-yl)oxy-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688681
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 86961784
N-[3-[4-[4-(4-hydroxybutoxy)-3-pyridinyl]pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 154688821
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122284533
N-[4-methyl-3-[4-[5-(oxolan-3-ylmethoxy)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 166921619
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122326135
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-1-yl]phenyl]benzamide
CID 154688758

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 154688748) is N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cncc(OC3CCOCC3)c2)cn1.
What is the InChIKey of N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NJMAHWOVHCNBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O3/c1-19-5-6-24(35-28(37)12-20-3-2-4-23(11-20)29(30,31)32)14-27(19)36-18-22(16-34-36)21-13-26(17-33-15-21)39-25-7-9-38-10-8-25/h2-6,11,13-18,25H,7-10,12H2,1H3,(H,35,37).
What are the key properties of N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 536.55 g/mol, XLogP of 6.00, 7 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-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 154688748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).