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

C23H22N6O — CID 134551591

IUPAC2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCCCC1)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C23H22N6O/c30-23(27-19-15-24-11-10-21(19)28-13-5-2-6-14-28)18-9-12-25-29-16-20(26-22(18)29)17-7-3-1-4-8-17/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,27,30)
InChIKeyGHFQRLZWDHJYKZ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.03
Rot. Bonds4

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

2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551591) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551591
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCCCC1)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C23H22N6O/c30-23(27-19-15-24-11-10-21(19)28-13-5-2-6-14-28)18-9-12-25-29-16-20(26-22(18)29)17-7-3-1-4-8-17/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,27,30)
InChIKeyGHFQRLZWDHJYKZ-UHFFFAOYSA-N
XLogP4.03
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551591) is 2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1N1CCCCC1)c1ccnn2cc(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is GHFQRLZWDHJYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c30-23(27-19-15-24-11-10-21(19)28-13-5-2-6-14-28)18-9-12-25-29-16-20(26-22(18)29)17-7-3-1-4-8-17/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,27,30).
What are the key properties of 2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-piperidin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).