N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide

C14H13N5O — CID 143593560

IUPACN-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc3n[nH]c(N)c23)cc1
InChIInChI=1S/C14H13N5O/c1-8(20)17-10-4-2-9(3-5-10)11-6-7-16-14-12(11)13(15)18-19-14/h2-7H,1H3,(H,17,20)(H3,15,16,18,19)
InChIKeyFFVDVGBGNWXEDR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.17
Rot. Bonds2

About N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide

N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide (PubChem CID 143593560) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide
PubChem CID143593560
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc3n[nH]c(N)c23)cc1
InChIInChI=1S/C14H13N5O/c1-8(20)17-10-4-2-9(3-5-10)11-6-7-16-14-12(11)13(15)18-19-14/h2-7H,1H3,(H,17,20)(H3,15,16,18,19)
InChIKeyFFVDVGBGNWXEDR-UHFFFAOYSA-N
XLogP2.17
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide (CID 143593560) is N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc3n[nH]c(N)c23)cc1.
What is the InChIKey of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide?
The InChIKey is FFVDVGBGNWXEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-8(20)17-10-4-2-9(3-5-10)11-6-7-16-14-12(11)13(15)18-19-14/h2-7H,1H3,(H,17,20)(H3,15,16,18,19).
What are the key properties of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide?
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide is sourced from PubChem (CID 143593560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).