2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C24H21F3N6O — CID 159863532

IUPAC2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4ccc(C(F)(F)F)nc4)cc3)cn2)cn1
InChIInChI=1S/C24H21F3N6O/c1-2-33-15-17(11-31-33)9-22-29-12-19(13-30-22)18-5-3-16(4-6-18)10-23(34)32-20-7-8-21(28-14-20)24(25,26)27/h3-8,11-15H,2,9-10H2,1H3,(H,32,34)
InChIKeyNRLFXQAQMIMSAD-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.55
Rot. Bonds7

About 2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide

2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 159863532) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID159863532
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4ccc(C(F)(F)F)nc4)cc3)cn2)cn1
InChIInChI=1S/C24H21F3N6O/c1-2-33-15-17(11-31-33)9-22-29-12-19(13-30-22)18-5-3-16(4-6-18)10-23(34)32-20-7-8-21(28-14-20)24(25,26)27/h3-8,11-15H,2,9-10H2,1H3,(H,32,34)
InChIKeyNRLFXQAQMIMSAD-UHFFFAOYSA-N
XLogP4.55
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149302260
N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158628068
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149072934
2-[4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423336
N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide
CID 147628685
N-[3-(1,1-difluoroethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 160935018
2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2,5-difluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 148657349
N-[3-(1,1-difluoroethyl)-4-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 159975103
N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149108373
2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid
CID 113427832
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide
CID 147857106

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 159863532) is 2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide is CCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4ccc(C(F)(F)F)nc4)cc3)cn2)cn1.
What is the InChIKey of 2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is NRLFXQAQMIMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-2-33-15-17(11-31-33)9-22-29-12-19(13-30-22)18-5-3-16(4-6-18)10-23(34)32-20-7-8-21(28-14-20)24(25,26)27/h3-8,11-15H,2,9-10H2,1H3,(H,32,34).
What are the key properties of 2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 466.47 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 159863532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).