2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid

C23H22N4O3 — CID 139561586

IUPAC2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid
SMILESCn1ncc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21
InChIInChI=1S/C23H22N4O3/c1-27-21-9-15(14-30-22-5-3-2-4-17(22)11-23(28)29)8-19(20(21)13-26-27)16-6-7-25-18(10-16)12-24/h2-10,13H,11-12,14,24H2,1H3,(H,28,29)
InChIKeyUWQDJCISJYRHFS-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.30
Rot. Bonds7

About 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid

2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid (PubChem CID 139561586) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid
PubChem CID139561586
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid
SMILESCn1ncc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21
InChIInChI=1S/C23H22N4O3/c1-27-21-9-15(14-30-22-5-3-2-4-17(22)11-23(28)29)8-19(20(21)13-26-27)16-6-7-25-18(10-16)12-24/h2-10,13H,11-12,14,24H2,1H3,(H,28,29)
InChIKeyUWQDJCISJYRHFS-UHFFFAOYSA-N
XLogP3.30
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid with MolForge

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Related Compounds

3-[[4-[1-[4-(4-Methylindazol-2-yl)phenoxy]butyl]benzoyl]amino]propanoic acid
CID 60152353
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid
CID 139560679
Ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-fluorophenyl]acetate
CID 139560696
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-1-propan-2-ylindol-6-yl]methoxy]phenyl]acetic acid
CID 139560752
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-2-(cyclopropylmethyl)indazol-6-yl]methoxy]phenyl]acetic acid
CID 139560830
2-[2-[[4-[2-(Aminomethyl)-3-fluoro-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]phenyl]acetic acid
CID 139560874
Ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-1-(trifluoromethyl)indol-6-yl]methoxy]phenyl]acetate
CID 139561048
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-2-methylindazol-6-yl]methoxy]phenyl]acetic acid
CID 139561108
Ethyl 2-[2-[[4-[2-(aminomethyl)pyridin-4-yl]-1-(trifluoromethyl)indol-6-yl]methoxy]phenyl]acetate
CID 139561118
2-[2-[[4-[2-(Aminomethyl)-3-fluoro-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid
CID 139561144
Ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate
CID 139561158
2-[2-[[4-[2-(Aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid
CID 139561168

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid (CID 139561586) is 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid is Cn1ncc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21.
What is the InChIKey of 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid?
The InChIKey is UWQDJCISJYRHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-27-21-9-15(14-30-22-5-3-2-4-17(22)11-23(28)29)8-19(20(21)13-26-27)16-6-7-25-18(10-16)12-24/h2-10,13H,11-12,14,24H2,1H3,(H,28,29).
What are the key properties of 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid?
2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid has a molecular weight of 402.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 139561586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).