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

C28H21ClN4O3 — CID 118212562

IUPACN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(C(=O)c2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C28H21ClN4O3/c29-22-11-12-24-23(15-22)25(32-31-24)16-30-28(36)21-5-3-4-20(14-21)27(35)19-9-7-18(8-10-19)17-33-13-2-1-6-26(33)34/h1-15H,16-17H2,(H,30,36)(H,31,32)
InChIKeyIMMQRVQRVGHKCM-UHFFFAOYSA-N
MW496.95 g/mol
LogP4.59
Rot. Bonds7

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

N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide (PubChem CID 118212562) has the molecular formula C28H21ClN4O3 and a molecular weight of 496.95 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide
PubChem CID118212562
Molecular FormulaC28H21ClN4O3
Molecular Weight496.95 g/mol
Exact Mass496.13
IUPAC NameN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(C(=O)c2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C28H21ClN4O3/c29-22-11-12-24-23(15-22)25(32-31-24)16-30-28(36)21-5-3-4-20(14-21)27(35)19-9-7-18(8-10-19)17-33-13-2-1-6-26(33)34/h1-15H,16-17H2,(H,30,36)(H,31,32)
InChIKeyIMMQRVQRVGHKCM-UHFFFAOYSA-N
XLogP4.59
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.95
LogP ≤ 54.59
H-Bond Donors ≤ 52
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-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide?
The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide (CID 118212562) is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide.
What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide?
The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide is O=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(C(=O)c2ccc(Cn3ccccc3=O)cc2)c1.
What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide?
The InChIKey is IMMQRVQRVGHKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O3/c29-22-11-12-24-23(15-22)25(32-31-24)16-30-28(36)21-5-3-4-20(14-21)27(35)19-9-7-18(8-10-19)17-33-13-2-1-6-26(33)34/h1-15H,16-17H2,(H,30,36)(H,31,32).
What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide?
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide has a molecular weight of 496.95 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 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-[4-[(2-oxo-1-pyridinyl)methyl]benzoyl]benzamide is sourced from PubChem (CID 118212562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).