N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide

C23H23N5O2 — CID 59463711

IUPACN-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(-c3cc(C)nc4c3c(N)nn4C)cc2)c1
InChIInChI=1S/C23H23N5O2/c1-14-11-19(21-22(24)27-28(2)23(21)25-14)16-7-9-17(10-8-16)26-20(29)13-15-5-4-6-18(12-15)30-3/h4-12H,13H2,1-3H3,(H2,24,27)(H,26,29)
InChIKeyQUYPWGMLSCBKAA-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.72
Rot. Bonds5

About N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide

N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 59463711) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide
PubChem CID59463711
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(-c3cc(C)nc4c3c(N)nn4C)cc2)c1
InChIInChI=1S/C23H23N5O2/c1-14-11-19(21-22(24)27-28(2)23(21)25-14)16-7-9-17(10-8-16)26-20(29)13-15-5-4-6-18(12-15)30-3/h4-12H,13H2,1-3H3,(H2,24,27)(H,26,29)
InChIKeyQUYPWGMLSCBKAA-UHFFFAOYSA-N
XLogP3.72
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-(3-methoxyphenyl)-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 154795771
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
2-(3-methoxyphenyl)-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 131909721
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
CID 26679644
N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
CID 30874438
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 134700057
N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 53234590
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000949

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide (CID 59463711) is N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccc(-c3cc(C)nc4c3c(N)nn4C)cc2)c1.
What is the InChIKey of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is QUYPWGMLSCBKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-11-19(21-22(24)27-28(2)23(21)25-14)16-7-9-17(10-8-16)26-20(29)13-15-5-4-6-18(12-15)30-3/h4-12H,13H2,1-3H3,(H2,24,27)(H,26,29).
What are the key properties of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 59463711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).