6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C22H24FN7O — CID 170340784

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cn2nc(-c3cc(F)c4nc(C(=O)NC[C@H]5CCCCN5)cn4c3)cc(C)c2n1
InChIInChI=1S/C22H24FN7O/c1-13-7-18(28-30-10-14(2)26-20(13)30)15-8-17(23)21-27-19(12-29(21)11-15)22(31)25-9-16-5-3-4-6-24-16/h7-8,10-12,16,24H,3-6,9H2,1-2H3,(H,25,31)/t16-/m1/s1
InChIKeyLCTYHMKNDKVYJU-MRXNPFEDSA-N
MW421.48 g/mol
LogP2.67
Rot. Bonds4

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 170340784) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID170340784
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cn2nc(-c3cc(F)c4nc(C(=O)NC[C@H]5CCCCN5)cn4c3)cc(C)c2n1
InChIInChI=1S/C22H24FN7O/c1-13-7-18(28-30-10-14(2)26-20(13)30)15-8-17(23)21-27-19(12-29(21)11-15)22(31)25-9-16-5-3-4-6-24-16/h7-8,10-12,16,24H,3-6,9H2,1-2H3,(H,25,31)/t16-/m1/s1
InChIKeyLCTYHMKNDKVYJU-MRXNPFEDSA-N
XLogP2.67
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 170340784) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1cn2nc(-c3cc(F)c4nc(C(=O)NC[C@H]5CCCCN5)cn4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LCTYHMKNDKVYJU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-13-7-18(28-30-10-14(2)26-20(13)30)15-8-17(23)21-27-19(12-29(21)11-15)22(31)25-9-16-5-3-4-6-24-16/h7-8,10-12,16,24H,3-6,9H2,1-2H3,(H,25,31)/t16-/m1/s1.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 170340784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).