N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide

C20H22FN5O — CID 147628685

IUPACN-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide
SMILESCCNC(=O)Cc1ccc(-c2cnc(Cc3cnn(CC)c3)nc2)cc1F
InChIInChI=1S/C20H22FN5O/c1-3-22-20(27)9-16-6-5-15(8-18(16)21)17-11-23-19(24-12-17)7-14-10-25-26(4-2)13-14/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,22,27)
InChIKeyGFGZROJYWQCMRD-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.77
Rot. Bonds7

About N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide

N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide (PubChem CID 147628685) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide
PubChem CID147628685
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide
SMILESCCNC(=O)Cc1ccc(-c2cnc(Cc3cnn(CC)c3)nc2)cc1F
InChIInChI=1S/C20H22FN5O/c1-3-22-20(27)9-16-6-5-15(8-18(16)21)17-11-23-19(24-12-17)7-14-10-25-26(4-2)13-14/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,22,27)
InChIKeyGFGZROJYWQCMRD-UHFFFAOYSA-N
XLogP2.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 157137083
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 161400584
2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 159863532
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149302260
2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2,5-difluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 148657349
1-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279923
2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
CID 166241060
N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158503970
2-[2-fluoro-4-[2-[[1-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 160962571
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726
2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide
CID 158414445
2-[2-fluoro-4-[2-[(1-propylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 162140939

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide?
The IUPAC name of N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide (CID 147628685) is N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide is CCNC(=O)Cc1ccc(-c2cnc(Cc3cnn(CC)c3)nc2)cc1F.
What is the InChIKey of N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide?
The InChIKey is GFGZROJYWQCMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-3-22-20(27)9-16-6-5-15(8-18(16)21)17-11-23-19(24-12-17)7-14-10-25-26(4-2)13-14/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,22,27).
What are the key properties of N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide?
N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 147628685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).