N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C24H27FN6O2 — CID 56942927

IUPACN-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)CC1
InChIInChI=1S/C24H27FN6O2/c1-16(32)29-12-9-19(10-13-29)27-24(33)21-15-26-22-7-8-23(28-31(21)22)30-11-3-6-20(30)17-4-2-5-18(25)14-17/h2,4-5,7-8,14-15,19-20H,3,6,9-13H2,1H3,(H,27,33)/t20-/m1/s1
InChIKeyDHGUIKQTMSMGIX-HXUWFJFHSA-N
MW450.52 g/mol
LogP2.95
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56942927) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56942927
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC NameN-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)CC1
InChIInChI=1S/C24H27FN6O2/c1-16(32)29-12-9-19(10-13-29)27-24(33)21-15-26-22-7-8-23(28-31(21)22)30-11-3-6-20(30)17-4-2-5-18(25)14-17/h2,4-5,7-8,14-15,19-20H,3,6,9-13H2,1H3,(H,27,33)/t20-/m1/s1
InChIKeyDHGUIKQTMSMGIX-HXUWFJFHSA-N
XLogP2.95
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 56942927) is N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(=O)N1CCC(NC(=O)c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DHGUIKQTMSMGIX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-16(32)29-12-9-19(10-13-29)27-24(33)21-15-26-22-7-8-23(28-31(21)22)30-11-3-6-20(30)17-4-2-5-18(25)14-17/h2,4-5,7-8,14-15,19-20H,3,6,9-13H2,1H3,(H,27,33)/t20-/m1/s1.
What are the key properties of N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56942927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).