N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide

C19H16N8O — CID 46989684

IUPACN-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide
SMILESCn1nc(NC(=O)Cn2cc(-c3ccnc4[nH]ncc34)cn2)c2ccccc21
InChIInChI=1S/C19H16N8O/c1-26-16-5-3-2-4-14(16)19(25-26)23-17(28)11-27-10-12(8-22-27)13-6-7-20-18-15(13)9-21-24-18/h2-10H,11H2,1H3,(H,20,21,24)(H,23,25,28)
InChIKeyDMZOQFORPNOOQK-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.35
Rot. Bonds4

About N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide

N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide (PubChem CID 46989684) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide
PubChem CID46989684
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC NameN-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide
SMILESCn1nc(NC(=O)Cn2cc(-c3ccnc4[nH]ncc34)cn2)c2ccccc21
InChIInChI=1S/C19H16N8O/c1-26-16-5-3-2-4-14(16)19(25-26)23-17(28)11-27-10-12(8-22-27)13-6-7-20-18-15(13)9-21-24-18/h2-10H,11H2,1H3,(H,20,21,24)(H,23,25,28)
InChIKeyDMZOQFORPNOOQK-UHFFFAOYSA-N
XLogP2.35
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide (CID 46989684) is N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide is Cn1nc(NC(=O)Cn2cc(-c3ccnc4[nH]ncc34)cn2)c2ccccc21.
What is the InChIKey of N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide?
The InChIKey is DMZOQFORPNOOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c1-26-16-5-3-2-4-14(16)19(25-26)23-17(28)11-27-10-12(8-22-27)13-6-7-20-18-15(13)9-21-24-18/h2-10H,11H2,1H3,(H,20,21,24)(H,23,25,28).
What are the key properties of N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide?
N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide has a molecular weight of 372.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 46989684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).