N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine

C19H24N6O — CID 134391564

IUPACN-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
SMILESCC[C@@H](C)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C
InChIInChI=1S/C19H24N6O/c1-6-13(3)21-18-12(2)9-16(23-24-18)15-7-8-17(19(22-15)26-5)25-10-14(4)20-11-25/h7-11,13H,6H2,1-5H3,(H,21,24)/t13-/m1/s1
InChIKeyINSBIQIUJBOFIA-CYBMUJFWSA-N
MW352.44 g/mol
LogP3.56
Rot. Bonds6

About N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine

N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine (PubChem CID 134391564) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
PubChem CID134391564
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
SMILESCC[C@@H](C)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C
InChIInChI=1S/C19H24N6O/c1-6-13(3)21-18-12(2)9-16(23-24-18)15-7-8-17(19(22-15)26-5)25-10-14(4)20-11-25/h7-11,13H,6H2,1-5H3,(H,21,24)/t13-/m1/s1
InChIKeyINSBIQIUJBOFIA-CYBMUJFWSA-N
XLogP3.56
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine (CID 134391564) is N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine is CC[C@@H](C)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The InChIKey is INSBIQIUJBOFIA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N6O/c1-6-13(3)21-18-12(2)9-16(23-24-18)15-7-8-17(19(22-15)26-5)25-10-14(4)20-11-25/h7-11,13H,6H2,1-5H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine has a molecular weight of 352.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine is sourced from PubChem (CID 134391564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).