N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide

C24H23FN6O — CID 157137083

IUPACN-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
SMILESCCc1cncc(NC(=O)Cc2ccc(-c3cnc(Cc4cnn(C)c4)nc3)cc2F)c1
InChIInChI=1S/C24H23FN6O/c1-3-16-6-21(14-26-10-16)30-24(32)9-19-5-4-18(8-22(19)25)20-12-27-23(28-13-20)7-17-11-29-31(2)15-17/h4-6,8,10-15H,3,7,9H2,1-2H3,(H,30,32)
InChIKeyAJTAUNVYQUIMAG-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.75
Rot. Bonds7

About N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide

N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 157137083) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
PubChem CID157137083
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
SMILESCCc1cncc(NC(=O)Cc2ccc(-c3cnc(Cc4cnn(C)c4)nc3)cc2F)c1
InChIInChI=1S/C24H23FN6O/c1-3-16-6-21(14-26-10-16)30-24(32)9-19-5-4-18(8-22(19)25)20-12-27-23(28-13-20)7-17-11-29-31(2)15-17/h4-6,8,10-15H,3,7,9H2,1-2H3,(H,30,32)
InChIKeyAJTAUNVYQUIMAG-UHFFFAOYSA-N
XLogP3.75
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 161400584
N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide
CID 147628685
N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158628068
N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149108373
N-[3-(1,1-difluoroethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 160935018
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158346684
N-(2-cyclopropyl-4-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423402
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
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423623
N-[3-(1,1-difluoroethyl)-4-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 159975103
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149072934
N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158503970

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
The IUPAC name of N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide (CID 157137083) is N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide is CCc1cncc(NC(=O)Cc2ccc(-c3cnc(Cc4cnn(C)c4)nc3)cc2F)c1.
What is the InChIKey of N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is AJTAUNVYQUIMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-3-16-6-21(14-26-10-16)30-24(32)9-19-5-4-18(8-22(19)25)20-12-27-23(28-13-20)7-17-11-29-31(2)15-17/h4-6,8,10-15H,3,7,9H2,1-2H3,(H,30,32).
What are the key properties of N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 430.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 157137083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).