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

C29H24ClN5O3 — CID 118213186

IUPACN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide
SMILESO=C(Cc1ccc(Cn2ccccc2=O)cc1)Nc1cccc(C(=O)NCc2[nH]nc3ccc(Cl)cc23)c1
InChIInChI=1S/C29H24ClN5O3/c30-22-11-12-25-24(16-22)26(34-33-25)17-31-29(38)21-4-3-5-23(15-21)32-27(36)14-19-7-9-20(10-8-19)18-35-13-2-1-6-28(35)37/h1-13,15-16H,14,17-18H2,(H,31,38)(H,32,36)(H,33,34)
InChIKeyIEEVQGYWDUQJKF-UHFFFAOYSA-N
MW526.00 g/mol
LogP4.54
Rot. Bonds8

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

N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide (PubChem CID 118213186) has the molecular formula C29H24ClN5O3 and a molecular weight of 526.00 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide
PubChem CID118213186
Molecular FormulaC29H24ClN5O3
Molecular Weight526.00 g/mol
Exact Mass525.16
IUPAC NameN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide
SMILESO=C(Cc1ccc(Cn2ccccc2=O)cc1)Nc1cccc(C(=O)NCc2[nH]nc3ccc(Cl)cc23)c1
InChIInChI=1S/C29H24ClN5O3/c30-22-11-12-25-24(16-22)26(34-33-25)17-31-29(38)21-4-3-5-23(15-21)32-27(36)14-19-7-9-20(10-8-19)18-35-13-2-1-6-28(35)37/h1-13,15-16H,14,17-18H2,(H,31,38)(H,32,36)(H,33,34)
InChIKeyIEEVQGYWDUQJKF-UHFFFAOYSA-N
XLogP4.54
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.00
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide?
The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide (CID 118213186) is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide.
What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide?
The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide is O=C(Cc1ccc(Cn2ccccc2=O)cc1)Nc1cccc(C(=O)NCc2[nH]nc3ccc(Cl)cc23)c1.
What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide?
The InChIKey is IEEVQGYWDUQJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN5O3/c30-22-11-12-25-24(16-22)26(34-33-25)17-31-29(38)21-4-3-5-23(15-21)32-27(36)14-19-7-9-20(10-8-19)18-35-13-2-1-6-28(35)37/h1-13,15-16H,14,17-18H2,(H,31,38)(H,32,36)(H,33,34).
What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide?
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide has a molecular weight of 526.00 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 118213186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).