N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide

C23H25FN6O2 — CID 146076064

IUPACN-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3cccnc3)c2)c1
InChIInChI=1S/C23H25FN6O2/c1-16-5-2-3-10-29(16)15-22(31)27-18-7-8-20(24)21(11-18)28-23(32)17-12-26-30(14-17)19-6-4-9-25-13-19/h4,6-9,11-14,16H,2-3,5,10,15H2,1H3,(H,27,31)(H,28,32)
InChIKeyGSFKZBWORBKQRT-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.47
Rot. Bonds6

About N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide

N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 146076064) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID146076064
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC NameN-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3cccnc3)c2)c1
InChIInChI=1S/C23H25FN6O2/c1-16-5-2-3-10-29(16)15-22(31)27-18-7-8-20(24)21(11-18)28-23(32)17-12-26-30(14-17)19-6-4-9-25-13-19/h4,6-9,11-14,16H,2-3,5,10,15H2,1H3,(H,27,31)(H,28,32)
InChIKeyGSFKZBWORBKQRT-UHFFFAOYSA-N
XLogP3.47
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-4-methyl-3-nitrobenzamide
CID 42961889
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583449
N-(2-fluoro-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 17403289
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide (CID 146076064) is N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide is CC1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3cccnc3)c2)c1.
What is the InChIKey of N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is GSFKZBWORBKQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-16-5-2-3-10-29(16)15-22(31)27-18-7-8-20(24)21(11-18)28-23(32)17-12-26-30(14-17)19-6-4-9-25-13-19/h4,6-9,11-14,16H,2-3,5,10,15H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 146076064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).