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

C28H23ClN4O3 — CID 118212680

IUPACN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2O)c1
InChIInChI=1S/C28H23ClN4O3/c29-22-9-10-24-23(15-22)25(32-31-24)16-30-28(36)21-5-3-4-18(13-21)12-20-8-7-19(14-26(20)34)17-33-11-2-1-6-27(33)35/h1-11,13-15,34H,12,16-17H2,(H,30,36)(H,31,32)
InChIKeyNMEAEBBTOMCZHZ-UHFFFAOYSA-N
MW498.97 g/mol
LogP4.65
Rot. Bonds7

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

N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide (PubChem CID 118212680) has the molecular formula C28H23ClN4O3 and a molecular weight of 498.97 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
PubChem CID118212680
Molecular FormulaC28H23ClN4O3
Molecular Weight498.97 g/mol
Exact Mass498.15
IUPAC NameN-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2O)c1
InChIInChI=1S/C28H23ClN4O3/c29-22-9-10-24-23(15-22)25(32-31-24)16-30-28(36)21-5-3-4-18(13-21)12-20-8-7-19(14-26(20)34)17-33-11-2-1-6-27(33)35/h1-11,13-15,34H,12,16-17H2,(H,30,36)(H,31,32)
InChIKeyNMEAEBBTOMCZHZ-UHFFFAOYSA-N
XLogP4.65
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 54.65
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-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide (CID 118212680) is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide is O=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2O)c1.
What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
The InChIKey is NMEAEBBTOMCZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O3/c29-22-9-10-24-23(15-22)25(32-31-24)16-30-28(36)21-5-3-4-18(13-21)12-20-8-7-19(14-26(20)34)17-33-11-2-1-6-27(33)35/h1-11,13-15,34H,12,16-17H2,(H,30,36)(H,31,32).
What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide?
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide has a molecular weight of 498.97 g/mol, XLogP of 4.65, 7 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-hydroxy-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 118212680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).