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

C28H23ClN4O2 — CID 91820633

IUPACN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C28H23ClN4O2/c29-23-11-12-25-24(16-23)26(32-31-25)17-30-28(35)22-5-3-4-21(15-22)14-19-7-9-20(10-8-19)18-33-13-2-1-6-27(33)34/h1-13,15-16H,14,17-18H2,(H,30,35)(H,31,32)
InChIKeyUVNOVXXYTOSHAP-UHFFFAOYSA-N
MW482.97 g/mol
LogP4.95
Rot. Bonds7

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

N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide (PubChem CID 91820633) has the molecular formula C28H23ClN4O2 and a molecular weight of 482.97 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
PubChem CID91820633
Molecular FormulaC28H23ClN4O2
Molecular Weight482.97 g/mol
Exact Mass482.15
IUPAC NameN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C28H23ClN4O2/c29-23-11-12-25-24(16-23)26(32-31-25)17-30-28(35)22-5-3-4-21(15-22)14-19-7-9-20(10-8-19)18-33-13-2-1-6-27(33)34/h1-13,15-16H,14,17-18H2,(H,30,35)(H,31,32)
InChIKeyUVNOVXXYTOSHAP-UHFFFAOYSA-N
XLogP4.95
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]phenyl]methyl]benzamide?
The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide (CID 91820633) is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide is O=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2)c1.
What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
The InChIKey is UVNOVXXYTOSHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O2/c29-23-11-12-25-24(16-23)26(32-31-25)17-30-28(35)22-5-3-4-21(15-22)14-19-7-9-20(10-8-19)18-33-13-2-1-6-27(33)34/h1-13,15-16H,14,17-18H2,(H,30,35)(H,31,32).
What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide has a molecular weight of 482.97 g/mol, XLogP of 4.95, 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-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 91820633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).