2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid

C18H17N5O3 — CID 154931289

IUPAC2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid
SMILES[H]/N=C/c1cc(COc2ccc(-c3ccn[nH]3)nc2)ccc1NCC(=O)O
InChIInChI=1S/C18H17N5O3/c19-8-13-7-12(1-3-15(13)21-10-18(24)25)11-26-14-2-4-16(20-9-14)17-5-6-22-23-17/h1-9,19,21H,10-11H2,(H,22,23)(H,24,25)/b19-8+
InChIKeyBNHLGZKRXFOFNI-UFWORHAWSA-N
MW351.37 g/mol
LogP2.54
Rot. Bonds8

About 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid

2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid (PubChem CID 154931289) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid
PubChem CID154931289
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid
SMILES[H]/N=C/c1cc(COc2ccc(-c3ccn[nH]3)nc2)ccc1NCC(=O)O
InChIInChI=1S/C18H17N5O3/c19-8-13-7-12(1-3-15(13)21-10-18(24)25)11-26-14-2-4-16(20-9-14)17-5-6-22-23-17/h1-9,19,21H,10-11H2,(H,22,23)(H,24,25)/b19-8+
InChIKeyBNHLGZKRXFOFNI-UFWORHAWSA-N
XLogP2.54
TPSA123.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid
CID 142526512
5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790764
4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
CID 147289846
5-[(3-methylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360604
6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
CID 142527040
2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid
CID 148717921
N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide
CID 152802846
(3S)-3-[4-[[4-methanimidoyl-3-(pyridin-3-ylmethylamino)phenyl]methoxy]phenyl]hex-4-ynoic acid
CID 144624323
ethyl (E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoate
CID 142527004
(3S)-3-[4-[[4-methanimidoyl-3-(methylamino)phenyl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
CID 144624243

Frequently Asked Questions

What is the IUPAC name of 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid?
The IUPAC name of 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid (CID 154931289) is 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid.
What is the SMILES notation for 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid?
The canonical SMILES for 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid is [H]/N=C/c1cc(COc2ccc(-c3ccn[nH]3)nc2)ccc1NCC(=O)O.
What is the InChIKey of 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid?
The InChIKey is BNHLGZKRXFOFNI-UFWORHAWSA-N. The full InChI is InChI=1S/C18H17N5O3/c19-8-13-7-12(1-3-15(13)21-10-18(24)25)11-26-14-2-4-16(20-9-14)17-5-6-22-23-17/h1-9,19,21H,10-11H2,(H,22,23)(H,24,25)/b19-8+.
What are the key properties of 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid?
2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid has a molecular weight of 351.37 g/mol, XLogP of 2.54, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid is sourced from PubChem (CID 154931289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).