2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide

C20H25N5O2 — CID 87013252

IUPAC2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)Cc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C20H25N5O2/c1-5-25(13-19(26)22-17-8-6-7-9-18(17)27-4)12-15-10-16-14(2)23-24(3)20(16)21-11-15/h6-11H,5,12-13H2,1-4H3,(H,22,26)
InChIKeyRIBLTZSJVHKSEQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.75
Rot. Bonds7

About 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide

2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 87013252) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID87013252
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)Cc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C20H25N5O2/c1-5-25(13-19(26)22-17-8-6-7-9-18(17)27-4)12-15-10-16-14(2)23-24(3)20(16)21-11-15/h6-11H,5,12-13H2,1-4H3,(H,22,26)
InChIKeyRIBLTZSJVHKSEQ-UHFFFAOYSA-N
XLogP2.75
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31520021
2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 100707008
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 87009738
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 86927857
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
2-[benzyl(ethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 18084887
N-(3-acetylphenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18078727
N-(2-tert-butylphenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 30752726

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide (CID 87013252) is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)Cc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is RIBLTZSJVHKSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-5-25(13-19(26)22-17-8-6-7-9-18(17)27-4)12-15-10-16-14(2)23-24(3)20(16)21-11-15/h6-11H,5,12-13H2,1-4H3,(H,22,26).
What are the key properties of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide?
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 87013252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).