N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide

C28H22ClFN4O2 — CID 118212293

IUPACN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1
InChIInChI=1S/C28H22ClFN4O2/c29-22-9-10-25-23(15-22)26(33-32-25)16-31-28(36)20-5-3-4-18(13-20)12-19-7-8-21(24(30)14-19)17-34-11-2-1-6-27(34)35/h1-11,13-15H,12,16-17H2,(H,31,36)(H,32,33)
InChIKeyVQUOTISIFNEKLY-UHFFFAOYSA-N
MW500.96 g/mol
LogP5.09
Rot. Bonds7

About N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide

N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide (PubChem CID 118212293) has the molecular formula C28H22ClFN4O2 and a molecular weight of 500.96 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
PubChem CID118212293
Molecular FormulaC28H22ClFN4O2
Molecular Weight500.96 g/mol
Exact Mass500.14
IUPAC NameN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1
InChIInChI=1S/C28H22ClFN4O2/c29-22-9-10-25-23(15-22)26(33-32-25)16-31-28(36)20-5-3-4-18(13-20)12-19-7-8-21(24(30)14-19)17-34-11-2-1-6-27(34)35/h1-11,13-15H,12,16-17H2,(H,31,36)(H,32,33)
InChIKeyVQUOTISIFNEKLY-UHFFFAOYSA-N
XLogP5.09
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.96
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide with MolForge

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Related Compounds

Kw-2449
CID 11427553
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-N-(2-dimethylamino-ethyl)-benzamide
CID 10151272
4-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 10310219
[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(1-piperazinyl)methanone
CID 67089852
(5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872302
[2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 118879399
5-(2-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037287
5-(2,3-difluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037288
N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 155514996
N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-4-chloro-3-(trifluoromethyl)benzamide
CID 155522045
Compoumd Y9
CID 155532371

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide (CID 118212293) is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide is O=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1.
What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
The InChIKey is VQUOTISIFNEKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN4O2/c29-22-9-10-25-23(15-22)26(33-32-25)16-31-28(36)20-5-3-4-18(13-20)12-19-7-8-21(24(30)14-19)17-34-11-2-1-6-27(34)35/h1-11,13-15H,12,16-17H2,(H,31,36)(H,32,33).
What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide has a molecular weight of 500.96 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 118212293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).