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

C23H25FN6O2 — CID 56942926

IUPACN-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(=O)N1CC[C@@H](NC(=O)c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)C1
InChIInChI=1S/C23H25FN6O2/c1-15(31)28-11-9-18(14-28)26-23(32)20-13-25-21-7-8-22(27-30(20)21)29-10-3-6-19(29)16-4-2-5-17(24)12-16/h2,4-5,7-8,12-13,18-19H,3,6,9-11,14H2,1H3,(H,26,32)/t18-,19-/m1/s1
InChIKeyQAVKZKOIFSOSTB-RTBURBONSA-N
MW436.49 g/mol
LogP2.56
Rot. Bonds4

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

N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56942926) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56942926
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC NameN-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(=O)N1CC[C@@H](NC(=O)c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)C1
InChIInChI=1S/C23H25FN6O2/c1-15(31)28-11-9-18(14-28)26-23(32)20-13-25-21-7-8-22(27-30(20)21)29-10-3-6-19(29)16-4-2-5-17(24)12-16/h2,4-5,7-8,12-13,18-19H,3,6,9-11,14H2,1H3,(H,26,32)/t18-,19-/m1/s1
InChIKeyQAVKZKOIFSOSTB-RTBURBONSA-N
XLogP2.56
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 56942926) is N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(=O)N1CC[C@@H](NC(=O)c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)C1.
What is the InChIKey of N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QAVKZKOIFSOSTB-RTBURBONSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-15(31)28-11-9-18(14-28)26-23(32)20-13-25-21-7-8-22(27-30(20)21)29-10-3-6-19(29)16-4-2-5-17(24)12-16/h2,4-5,7-8,12-13,18-19H,3,6,9-11,14H2,1H3,(H,26,32)/t18-,19-/m1/s1.
What are the key properties of N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-acetylpyrrolidin-3-yl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56942926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).