N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide

C25H25N5O2 — CID 46953834

IUPACN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide
SMILESCC(NC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1)C(=O)N1CCCCC1
InChIInChI=1S/C25H25N5O2/c1-19(25(32)29-15-5-2-6-16-29)28-24(31)21-10-12-23(30-17-7-14-27-30)20(18-21)9-11-22-8-3-4-13-26-22/h3-4,7-8,10,12-14,17-19H,2,5-6,15-16H2,1H3,(H,28,31)
InChIKeyPOFFDPFFNWWZCB-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.80
Rot. Bonds4

About N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide (PubChem CID 46953834) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide.

Molecular Properties

Compound NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide
PubChem CID46953834
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide
SMILESCC(NC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1)C(=O)N1CCCCC1
InChIInChI=1S/C25H25N5O2/c1-19(25(32)29-15-5-2-6-16-29)28-24(31)21-10-12-23(30-17-7-14-27-30)20(18-21)9-11-22-8-3-4-13-26-22/h3-4,7-8,10,12-14,17-19H,2,5-6,15-16H2,1H3,(H,28,31)
InChIKeyPOFFDPFFNWWZCB-UHFFFAOYSA-N
XLogP2.80
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide with MolForge

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Related Compounds

(3-hydroxypiperidin-1-yl)-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]methanone
CID 46961676
4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 115730315
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 94668085
N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide
CID 92607412
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 103735178
6-(cyclopropylamino)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95305381
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 49080458

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide?
The IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide (CID 46953834) is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide.
What is the SMILES notation for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide?
The canonical SMILES for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide is CC(NC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1)C(=O)N1CCCCC1.
What is the InChIKey of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide?
The InChIKey is POFFDPFFNWWZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-19(25(32)29-15-5-2-6-16-29)28-24(31)21-10-12-23(30-17-7-14-27-30)20(18-21)9-11-22-8-3-4-13-26-22/h3-4,7-8,10,12-14,17-19H,2,5-6,15-16H2,1H3,(H,28,31).
What are the key properties of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide?
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide has a molecular weight of 427.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide is sourced from PubChem (CID 46953834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).