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N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide

C22H24F2N6O — CID 139496082

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)C1
InChIInChI=1S/C22H24F2N6O/c1-14-8-10-28(13-14)22(31)26-21-12-25-19-6-7-20(27-30(19)21)29-9-2-3-18(29)16-11-15(23)4-5-17(16)24/h4-7,11-12,14,18H,2-3,8-10,13H2,1H3,(H,26,31)
InChIKeyIOWRAHPGEUBTCO-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.22
Rot. Bonds3

About N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide

N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 139496082) has the molecular formula C22H24F2N6O and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide
PubChem CID139496082
Molecular FormulaC22H24F2N6O
Molecular Weight426.47 g/mol
Exact Mass426.20
IUPAC NameN-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)C1
InChIInChI=1S/C22H24F2N6O/c1-14-8-10-28(13-14)22(31)26-21-12-25-19-6-7-20(27-30(19)21)29-9-2-3-18(29)16-11-15(23)4-5-17(16)24/h4-7,11-12,14,18H,2-3,8-10,13H2,1H3,(H,26,31)
InChIKeyIOWRAHPGEUBTCO-UHFFFAOYSA-N
XLogP4.22
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide (CID 139496082) is N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide is CC1CCN(C(=O)Nc2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)C1.
What is the InChIKey of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide?
The InChIKey is IOWRAHPGEUBTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O/c1-14-8-10-28(13-14)22(31)26-21-12-25-19-6-7-20(27-30(19)21)29-9-2-3-18(29)16-11-15(23)4-5-17(16)24/h4-7,11-12,14,18H,2-3,8-10,13H2,1H3,(H,26,31).
What are the key properties of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide?
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 139496082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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