2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid

C19H20N4O4 — CID 120538073

IUPAC2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid
SMILESCc1nn(C)c2ncc(C(=O)N(C)Cc3ccc(OCC(=O)O)cc3)cc12
InChIInChI=1S/C19H20N4O4/c1-12-16-8-14(9-20-18(16)23(3)21-12)19(26)22(2)10-13-4-6-15(7-5-13)27-11-17(24)25/h4-9H,10-11H2,1-3H3,(H,24,25)
InChIKeyYQHQEFGCQMZNQX-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.01
Rot. Bonds6

About 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid

2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid (PubChem CID 120538073) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid
PubChem CID120538073
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid
SMILESCc1nn(C)c2ncc(C(=O)N(C)Cc3ccc(OCC(=O)O)cc3)cc12
InChIInChI=1S/C19H20N4O4/c1-12-16-8-14(9-20-18(16)23(3)21-12)19(26)22(2)10-13-4-6-15(7-5-13)27-11-17(24)25/h4-9H,10-11H2,1-3H3,(H,24,25)
InChIKeyYQHQEFGCQMZNQX-UHFFFAOYSA-N
XLogP2.01
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 46566637
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 51868607
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347215
N,1,3-trimethyl-N-[2-(2-methylphenoxy)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342976
2-[4-[[(4-chloro-1-methylpyrazole-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid
CID 136552023
N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 111122114
2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 138043891
N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342972
1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78847401
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate
CID 61409505
2-[4-[[methyl-[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]phenoxy]acetic acid
CID 120538027

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid (CID 120538073) is 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid is Cc1nn(C)c2ncc(C(=O)N(C)Cc3ccc(OCC(=O)O)cc3)cc12.
What is the InChIKey of 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid?
The InChIKey is YQHQEFGCQMZNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12-16-8-14(9-20-18(16)23(3)21-12)19(26)22(2)10-13-4-6-15(7-5-13)27-11-17(24)25/h4-9H,10-11H2,1-3H3,(H,24,25).
What are the key properties of 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid?
2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 120538073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).