4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine

C21H25FN4O — CID 18516010

IUPAC4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine
SMILESCCc1nc2c(C(CC)C3CC3)nnc(-c3cc(F)c(OC)cc3C)c2[nH]1
InChIInChI=1S/C21H25FN4O/c1-5-13(12-7-8-12)18-20-21(24-17(6-2)23-20)19(26-25-18)14-10-15(22)16(27-4)9-11(14)3/h9-10,12-13H,5-8H2,1-4H3,(H,23,24)
InChIKeyDJFCRDZMEOUHJJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.94
Rot. Bonds6

About 4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine

4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine (PubChem CID 18516010) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine.

Molecular Properties

Compound Name4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine
PubChem CID18516010
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine
SMILESCCc1nc2c(C(CC)C3CC3)nnc(-c3cc(F)c(OC)cc3C)c2[nH]1
InChIInChI=1S/C21H25FN4O/c1-5-13(12-7-8-12)18-20-21(24-17(6-2)23-20)19(26-25-18)14-10-15(22)16(27-4)9-11(14)3/h9-10,12-13H,5-8H2,1-4H3,(H,23,24)
InChIKeyDJFCRDZMEOUHJJ-UHFFFAOYSA-N
XLogP4.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine?
The IUPAC name of 4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine (CID 18516010) is 4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine.
What is the SMILES notation for 4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine?
The canonical SMILES for 4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine is CCc1nc2c(C(CC)C3CC3)nnc(-c3cc(F)c(OC)cc3C)c2[nH]1.
What is the InChIKey of 4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine?
The InChIKey is DJFCRDZMEOUHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-5-13(12-7-8-12)18-20-21(24-17(6-2)23-20)19(26-25-18)14-10-15(22)16(27-4)9-11(14)3/h9-10,12-13H,5-8H2,1-4H3,(H,23,24).
What are the key properties of 4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine?
4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine has a molecular weight of 368.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpropyl)-2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-1H-imidazo[4,5-d]pyridazine is sourced from PubChem (CID 18516010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).