N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide

C21H19N7O — CID 46983985

IUPACN-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide
SMILESCn1cc(-c2nn(CC(=O)Nc3nn(C)c4ccccc34)c3ccccc23)cn1
InChIInChI=1S/C21H19N7O/c1-26-12-14(11-22-26)20-15-7-3-6-10-18(15)28(24-20)13-19(29)23-21-16-8-4-5-9-17(16)27(2)25-21/h3-12H,13H2,1-2H3,(H,23,25,29)
InChIKeyBOFNZMYGUSESSD-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.96
Rot. Bonds4

About N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide

N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide (PubChem CID 46983985) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide
PubChem CID46983985
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide
SMILESCn1cc(-c2nn(CC(=O)Nc3nn(C)c4ccccc34)c3ccccc23)cn1
InChIInChI=1S/C21H19N7O/c1-26-12-14(11-22-26)20-15-7-3-6-10-18(15)28(24-20)13-19(29)23-21-16-8-4-5-9-17(16)27(2)25-21/h3-12H,13H2,1-2H3,(H,23,25,29)
InChIKeyBOFNZMYGUSESSD-UHFFFAOYSA-N
XLogP2.96
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide?
The IUPAC name of N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide (CID 46983985) is N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide?
The canonical SMILES for N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide is Cn1cc(-c2nn(CC(=O)Nc3nn(C)c4ccccc34)c3ccccc23)cn1.
What is the InChIKey of N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide?
The InChIKey is BOFNZMYGUSESSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-26-12-14(11-22-26)20-15-7-3-6-10-18(15)28(24-20)13-19(29)23-21-16-8-4-5-9-17(16)27(2)25-21/h3-12H,13H2,1-2H3,(H,23,25,29).
What are the key properties of N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide?
N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide has a molecular weight of 385.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide is sourced from PubChem (CID 46983985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).