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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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide
CID 126740623
1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide
CID 163215261
2-(4-(6-(4-(6-fluoroindolin-1-yl)piperidin-1-yl)pyridazin-3-yl)-1H-pyrazol-1-yl)-N-methylacetamide
CID 76325611
US10246426, Example 6
CID 118962193
1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373032
2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215256
2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215264
N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215272
2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215279
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163215281
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215282
N-[6-[3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 164625635

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).