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

C29H24ClN5O3 — CID 118212375

IUPAC2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide
SMILESNC(=O)c1cc(Cn2ccccc2=O)ccc1Cc1cccc(C(=O)NCc2[nH]nc3ccc(Cl)cc23)c1
InChIInChI=1S/C29H24ClN5O3/c30-22-9-10-25-24(15-22)26(34-33-25)16-32-29(38)21-5-3-4-18(13-21)12-20-8-7-19(14-23(20)28(31)37)17-35-11-2-1-6-27(35)36/h1-11,13-15H,12,16-17H2,(H2,31,37)(H,32,38)(H,33,34)
InChIKeyTXSUEZZZUCMSNG-UHFFFAOYSA-N
MW526.00 g/mol
LogP4.05
Rot. Bonds8

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

2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide (PubChem CID 118212375) has the molecular formula C29H24ClN5O3 and a molecular weight of 526.00 g/mol. Its IUPAC name is 2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide
PubChem CID118212375
Molecular FormulaC29H24ClN5O3
Molecular Weight526.00 g/mol
Exact Mass525.16
IUPAC Name2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide
SMILESNC(=O)c1cc(Cn2ccccc2=O)ccc1Cc1cccc(C(=O)NCc2[nH]nc3ccc(Cl)cc23)c1
InChIInChI=1S/C29H24ClN5O3/c30-22-9-10-25-24(15-22)26(34-33-25)16-32-29(38)21-5-3-4-18(13-21)12-20-8-7-19(14-23(20)28(31)37)17-35-11-2-1-6-27(35)36/h1-11,13-15H,12,16-17H2,(H2,31,37)(H,32,38)(H,33,34)
InChIKeyTXSUEZZZUCMSNG-UHFFFAOYSA-N
XLogP4.05
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.00
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

Kw-2449
CID 11427553
4-[4-[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-[(4-chloro-1H-indazol-6-yl)amino]-3-oxopropyl]phenyl]-3-methyl-N-propan-2-ylbenzamide
CID 117985339
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
Bcr-abl-IN-5
CID 122196083
(4-chlorophenyl){1-[(5-methyl-1H-indazol-3-yl)carbonyl]piperidin-3-yl}methanone
CID 16188605
3-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(piperidin-4-yl)benzamide
CID 44404813
[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(2-chlorobenzoyl)piperazin-1-yl]methanone
CID 122196086

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide?
The IUPAC name of 2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide (CID 118212375) is 2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide is NC(=O)c1cc(Cn2ccccc2=O)ccc1Cc1cccc(C(=O)NCc2[nH]nc3ccc(Cl)cc23)c1.
What is the InChIKey of 2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide?
The InChIKey is TXSUEZZZUCMSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN5O3/c30-22-9-10-25-24(15-22)26(34-33-25)16-32-29(38)21-5-3-4-18(13-21)12-20-8-7-19(14-23(20)28(31)37)17-35-11-2-1-6-27(35)36/h1-11,13-15H,12,16-17H2,(H2,31,37)(H,32,38)(H,33,34).
What are the key properties of 2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide?
2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide has a molecular weight of 526.00 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide is sourced from PubChem (CID 118212375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).