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

C22H19F2N7O2 — CID 67308376

IUPACN-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)ccc1=O
InChIInChI=1S/C22H19F2N7O2/c1-29-21(32)9-6-16(27-29)22(33)26-20-12-25-18-7-8-19(28-31(18)20)30-10-2-3-17(30)14-11-13(23)4-5-15(14)24/h4-9,11-12,17H,2-3,10H2,1H3,(H,26,33)
InChIKeyVEPAWPDJRAOXCL-UHFFFAOYSA-N
MW451.44 g/mol
LogP2.69
Rot. Bonds4

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

N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 67308376) has the molecular formula C22H19F2N7O2 and a molecular weight of 451.44 g/mol. Its IUPAC name is N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID67308376
Molecular FormulaC22H19F2N7O2
Molecular Weight451.44 g/mol
Exact Mass451.16
IUPAC NameN-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)ccc1=O
InChIInChI=1S/C22H19F2N7O2/c1-29-21(32)9-6-16(27-29)22(33)26-20-12-25-18-7-8-19(28-31(18)20)30-10-2-3-17(30)14-11-13(23)4-5-15(14)24/h4-9,11-12,17H,2-3,10H2,1H3,(H,26,33)
InChIKeyVEPAWPDJRAOXCL-UHFFFAOYSA-N
XLogP2.69
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
CID 67308144
N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxamide
CID 58334520
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide
CID 139496082
1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-phenylurea
CID 45273998
(3R)-N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 67307161
N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 45274027
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 67306062
1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(4-methoxyphenyl)urea
CID 58334478
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
CID 146635887
1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58334481
3-cyano-N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 146635888
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-amine
CID 58334496

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]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 67308376) is N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)ccc1=O.
What is the InChIKey of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is VEPAWPDJRAOXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O2/c1-29-21(32)9-6-16(27-29)22(33)26-20-12-25-18-7-8-19(28-31(18)20)30-10-2-3-17(30)14-11-13(23)4-5-15(14)24/h4-9,11-12,17H,2-3,10H2,1H3,(H,26,33).
What are the key properties of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 451.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 67308376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).