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

C18H17F2N5O — CID 45274000

IUPACN-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nn12
InChIInChI=1S/C18H17F2N5O/c1-11(26)22-18-10-21-16-6-7-17(23-25(16)18)24-8-2-3-15(24)13-9-12(19)4-5-14(13)20/h4-7,9-10,15H,2-3,8H2,1H3,(H,22,26)/t15-/m1/s1
InChIKeyDRODGWWMTPIVDP-OAHLLOKOSA-N
MW357.36 g/mol
LogP3.31
Rot. Bonds3

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

N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide (PubChem CID 45274000) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
PubChem CID45274000
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC NameN-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nn12
InChIInChI=1S/C18H17F2N5O/c1-11(26)22-18-10-21-16-6-7-17(23-25(16)18)24-8-2-3-15(24)13-9-12(19)4-5-14(13)20/h4-7,9-10,15H,2-3,8H2,1H3,(H,22,26)/t15-/m1/s1
InChIKeyDRODGWWMTPIVDP-OAHLLOKOSA-N
XLogP3.31
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide (CID 45274000) is N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide is CC(=O)Nc1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nn12.
What is the InChIKey of N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide?
The InChIKey is DRODGWWMTPIVDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17F2N5O/c1-11(26)22-18-10-21-16-6-7-17(23-25(16)18)24-8-2-3-15(24)13-9-12(19)4-5-14(13)20/h4-7,9-10,15H,2-3,8H2,1H3,(H,22,26)/t15-/m1/s1.
What are the key properties of N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide?
N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide has a molecular weight of 357.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide is sourced from PubChem (CID 45274000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).