2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide

C20H20F2N6O — CID 134551762

IUPAC2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2cc(C3CC3)nc12
InChIInChI=1S/C20H20F2N6O/c21-20(22)5-9-27(10-6-20)17-4-7-23-11-15(17)26-19(29)14-3-8-24-28-12-16(13-1-2-13)25-18(14)28/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,26,29)
InChIKeyPYDXUBHPYGQXBU-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.49
Rot. Bonds4

About 2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide

2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551762) has the molecular formula C20H20F2N6O and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551762
Molecular FormulaC20H20F2N6O
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2cc(C3CC3)nc12
InChIInChI=1S/C20H20F2N6O/c21-20(22)5-9-27(10-6-20)17-4-7-23-11-15(17)26-19(29)14-3-8-24-28-12-16(13-1-2-13)25-18(14)28/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,26,29)
InChIKeyPYDXUBHPYGQXBU-UHFFFAOYSA-N
XLogP3.49
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551762) is 2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2cc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is PYDXUBHPYGQXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O/c21-20(22)5-9-27(10-6-20)17-4-7-23-11-15(17)26-19(29)14-3-8-24-28-12-16(13-1-2-13)25-18(14)28/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,26,29).
What are the key properties of 2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).