2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid

C24H20N4O4 — CID 148717921

IUPAC2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid
SMILESO=C(NCc1ccccc1C(=O)O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C24H20N4O4/c29-23(26-13-18-5-1-2-7-20(18)24(30)31)17-6-3-4-16(12-17)15-32-19-8-9-21(25-14-19)22-10-11-27-28-22/h1-12,14H,13,15H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyNYMLIKIOMPYNDB-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.68
Rot. Bonds8

About 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid

2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid (PubChem CID 148717921) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid
PubChem CID148717921
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid
SMILESO=C(NCc1ccccc1C(=O)O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C24H20N4O4/c29-23(26-13-18-5-1-2-7-20(18)24(30)31)17-6-3-4-16(12-17)15-32-19-8-9-21(25-14-19)22-10-11-27-28-22/h1-12,14H,13,15H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyNYMLIKIOMPYNDB-UHFFFAOYSA-N
XLogP3.68
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
CID 147289846
4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526977
2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526497
5-[(3-methylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360604
N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide
CID 152802846
ethyl (E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoate
CID 142527004
7-[2-oxo-2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethyl]-2,6,7,8,9,9a-hexahydro-1H-3-benzazepine-5-carboxylic acid
CID 137487740
N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]butanoic acid
CID 120537130
N-[(3-phenylmethoxyphenyl)methyl]-2H-benzotriazole-5-carboxamide
CID 60515368
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid
CID 142526512

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid?
The IUPAC name of 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid (CID 148717921) is 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid.
What is the SMILES notation for 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid?
The canonical SMILES for 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid is O=C(NCc1ccccc1C(=O)O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid?
The InChIKey is NYMLIKIOMPYNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c29-23(26-13-18-5-1-2-7-20(18)24(30)31)17-6-3-4-16(12-17)15-32-19-8-9-21(25-14-19)22-10-11-27-28-22/h1-12,14H,13,15H2,(H,26,29)(H,27,28)(H,30,31).
What are the key properties of 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid?
2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid has a molecular weight of 428.45 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid is sourced from PubChem (CID 148717921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).