1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide

C18H20N6O — CID 126916675

IUPAC1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide
SMILESCc1ccc(N2CC(CNC(=O)c3nn(C)c4ccccc34)C2)nn1
InChIInChI=1S/C18H20N6O/c1-12-7-8-16(21-20-12)24-10-13(11-24)9-19-18(25)17-14-5-3-4-6-15(14)23(2)22-17/h3-8,13H,9-11H2,1-2H3,(H,19,25)
InChIKeyKUVGAUWIJYCKRA-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.54
Rot. Bonds4

About 1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide

1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide (PubChem CID 126916675) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide
PubChem CID126916675
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide
SMILESCc1ccc(N2CC(CNC(=O)c3nn(C)c4ccccc34)C2)nn1
InChIInChI=1S/C18H20N6O/c1-12-7-8-16(21-20-12)24-10-13(11-24)9-19-18(25)17-14-5-3-4-6-15(14)23(2)22-17/h3-8,13H,9-11H2,1-2H3,(H,19,25)
InChIKeyKUVGAUWIJYCKRA-UHFFFAOYSA-N
XLogP1.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide
CID 126917005
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide
CID 103122653
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126917753
5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126916679
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylindazole-3-carboxamide
CID 166321033

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide (CID 126916675) is 1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide is Cc1ccc(N2CC(CNC(=O)c3nn(C)c4ccccc34)C2)nn1.
What is the InChIKey of 1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide?
The InChIKey is KUVGAUWIJYCKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-7-8-16(21-20-12)24-10-13(11-24)9-19-18(25)17-14-5-3-4-6-15(14)23(2)22-17/h3-8,13H,9-11H2,1-2H3,(H,19,25).
What are the key properties of 1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide?
1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide is sourced from PubChem (CID 126916675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).