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

C18H15N5O3 — CID 142526512

IUPAC2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid
SMILESO=C(O)Cn1ncc2cc(COc3ccc(-c4ccn[nH]4)nc3)ccc21
InChIInChI=1S/C18H15N5O3/c24-18(25)10-23-17-4-1-12(7-13(17)8-21-23)11-26-14-2-3-15(19-9-14)16-5-6-20-22-16/h1-9H,10-11H2,(H,20,22)(H,24,25)
InChIKeyBYVZWWCKLAFJPK-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.48
Rot. Bonds6

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

2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid (PubChem CID 142526512) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid
PubChem CID142526512
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid
SMILESO=C(O)Cn1ncc2cc(COc3ccc(-c4ccn[nH]4)nc3)ccc21
InChIInChI=1S/C18H15N5O3/c24-18(25)10-23-17-4-1-12(7-13(17)8-21-23)11-26-14-2-3-15(19-9-14)16-5-6-20-22-16/h1-9H,10-11H2,(H,20,22)(H,24,25)
InChIKeyBYVZWWCKLAFJPK-UHFFFAOYSA-N
XLogP2.48
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
CID 147289846
2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid
CID 154931289
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
5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790764
ethyl (E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoate
CID 142527004
2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid
CID 148717921
(3S)-3-[4-[[1-(3-methylbutyl)indazol-5-yl]methoxy]phenyl]hex-4-ynoic acid
CID 90133077
1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid
CID 137487702
N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide
CID 152802846

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid (CID 142526512) is 2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid is O=C(O)Cn1ncc2cc(COc3ccc(-c4ccn[nH]4)nc3)ccc21.
What is the InChIKey of 2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid?
The InChIKey is BYVZWWCKLAFJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c24-18(25)10-23-17-4-1-12(7-13(17)8-21-23)11-26-14-2-3-15(19-9-14)16-5-6-20-22-16/h1-9H,10-11H2,(H,20,22)(H,24,25).
What are the key properties of 2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid?
2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid has a molecular weight of 349.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid is sourced from PubChem (CID 142526512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).