N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide

C22H28N6O2 — CID 126918091

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)N(C)C3CN(c4ccc(C(C)(C)C)nn4)C3)cc2nn1C
InChIInChI=1S/C22H28N6O2/c1-22(2,3)18-9-10-19(24-23-18)28-12-15(13-28)26(4)20(29)14-7-8-16-17(11-14)25-27(5)21(16)30-6/h7-11,15H,12-13H2,1-6H3
InChIKeyJUNPFUOFLQWBBP-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.63
Rot. Bonds4

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide (PubChem CID 126918091) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide
PubChem CID126918091
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)N(C)C3CN(c4ccc(C(C)(C)C)nn4)C3)cc2nn1C
InChIInChI=1S/C22H28N6O2/c1-22(2,3)18-9-10-19(24-23-18)28-12-15(13-28)26(4)20(29)14-7-8-16-17(11-14)25-27(5)21(16)30-6/h7-11,15H,12-13H2,1-6H3
InChIKeyJUNPFUOFLQWBBP-UHFFFAOYSA-N
XLogP2.63
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide (CID 126918091) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide is COc1c2ccc(C(=O)N(C)C3CN(c4ccc(C(C)(C)C)nn4)C3)cc2nn1C.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide?
The InChIKey is JUNPFUOFLQWBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-22(2,3)18-9-10-19(24-23-18)28-12-15(13-28)26(4)20(29)14-7-8-16-17(11-14)25-27(5)21(16)30-6/h7-11,15H,12-13H2,1-6H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-3-methoxy-N,2-dimethylindazole-6-carboxamide is sourced from PubChem (CID 126918091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).