N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine

C24H23N7O2 — CID 134391616

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
SMILESCOc1nc(-c2cc(C)c(NC(C)c3nc4ccccc4o3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23N7O2/c1-14-11-19(17-9-10-20(24(27-17)32-4)31-12-15(2)25-13-31)29-30-22(14)26-16(3)23-28-18-7-5-6-8-21(18)33-23/h5-13,16H,1-4H3,(H,26,30)
InChIKeyZTXVCQGBIHFTIK-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.66
Rot. Bonds6

About N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine

N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine (PubChem CID 134391616) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
PubChem CID134391616
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
SMILESCOc1nc(-c2cc(C)c(NC(C)c3nc4ccccc4o3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23N7O2/c1-14-11-19(17-9-10-20(24(27-17)32-4)31-12-15(2)25-13-31)29-30-22(14)26-16(3)23-28-18-7-5-6-8-21(18)33-23/h5-13,16H,1-4H3,(H,26,30)
InChIKeyZTXVCQGBIHFTIK-UHFFFAOYSA-N
XLogP4.66
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine (CID 134391616) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine is COc1nc(-c2cc(C)c(NC(C)c3nc4ccccc4o3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The InChIKey is ZTXVCQGBIHFTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-14-11-19(17-9-10-20(24(27-17)32-4)31-12-15(2)25-13-31)29-30-22(14)26-16(3)23-28-18-7-5-6-8-21(18)33-23/h5-13,16H,1-4H3,(H,26,30).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine has a molecular weight of 441.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine is sourced from PubChem (CID 134391616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).