phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate

C20H15F2N5O4 — CID 176898184

IUPACphenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate
SMILESCOc1ncc(-c2ccc3nc(NC(=O)Oc4ccccc4)cn3n2)cc1OC(F)F
InChIInChI=1S/C20H15F2N5O4/c1-29-18-15(31-19(21)22)9-12(10-23-18)14-7-8-17-24-16(11-27(17)26-14)25-20(28)30-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,25,28)
InChIKeyIOEUNQLHVFELKI-UHFFFAOYSA-N
MW427.37 g/mol
LogP4.01
Rot. Bonds6

About phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate

phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate (PubChem CID 176898184) has the molecular formula C20H15F2N5O4 and a molecular weight of 427.37 g/mol. Its IUPAC name is phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate
PubChem CID176898184
Molecular FormulaC20H15F2N5O4
Molecular Weight427.37 g/mol
Exact Mass427.11
IUPAC Namephenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate
SMILESCOc1ncc(-c2ccc3nc(NC(=O)Oc4ccccc4)cn3n2)cc1OC(F)F
InChIInChI=1S/C20H15F2N5O4/c1-29-18-15(31-19(21)22)9-12(10-23-18)14-7-8-17-24-16(11-27(17)26-14)25-20(28)30-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,25,28)
InChIKeyIOEUNQLHVFELKI-UHFFFAOYSA-N
XLogP4.01
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate?
The IUPAC name of phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate (CID 176898184) is phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate.
What is the SMILES notation for phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate?
The canonical SMILES for phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate is COc1ncc(-c2ccc3nc(NC(=O)Oc4ccccc4)cn3n2)cc1OC(F)F.
What is the InChIKey of phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate?
The InChIKey is IOEUNQLHVFELKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O4/c1-29-18-15(31-19(21)22)9-12(10-23-18)14-7-8-17-24-16(11-27(17)26-14)25-20(28)30-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,25,28).
What are the key properties of phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate?
phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate has a molecular weight of 427.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate is sourced from PubChem (CID 176898184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).