N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C20H19FN6O — CID 154661675

IUPACN-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCCn1cc(-c2ccc3ncc(C(=O)NC4CC4F)n3n2)c2cccnc21
InChIInChI=1S/C20H19FN6O/c1-2-8-26-11-13(12-4-3-7-22-19(12)26)15-5-6-18-23-10-17(27(18)25-15)20(28)24-16-9-14(16)21/h3-7,10-11,14,16H,2,8-9H2,1H3,(H,24,28)
InChIKeyVGKKQTXCXUIJCU-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.00
Rot. Bonds5

About N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide

N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 154661675) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID154661675
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC NameN-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCCn1cc(-c2ccc3ncc(C(=O)NC4CC4F)n3n2)c2cccnc21
InChIInChI=1S/C20H19FN6O/c1-2-8-26-11-13(12-4-3-7-22-19(12)26)15-5-6-18-23-10-17(27(18)25-15)20(28)24-16-9-14(16)21/h3-7,10-11,14,16H,2,8-9H2,1H3,(H,24,28)
InChIKeyVGKKQTXCXUIJCU-UHFFFAOYSA-N
XLogP3.00
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 154661675) is N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is CCCn1cc(-c2ccc3ncc(C(=O)NC4CC4F)n3n2)c2cccnc21.
What is the InChIKey of N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VGKKQTXCXUIJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-2-8-26-11-13(12-4-3-7-22-19(12)26)15-5-6-18-23-10-17(27(18)25-15)20(28)24-16-9-14(16)21/h3-7,10-11,14,16H,2,8-9H2,1H3,(H,24,28).
What are the key properties of N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorocyclopropyl)-6-(1-propylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 154661675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).