2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine

C20H19F2N5 — CID 118278204

IUPAC2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1c(C(F)F)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C20H19F2N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14/h3-7,9,11-12,20H,8,10H2,1-2H3
InChIKeyRTCIVEGLSZFQFD-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.16
Rot. Bonds5

About 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine

2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (PubChem CID 118278204) has the molecular formula C20H19F2N5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
PubChem CID118278204
Molecular FormulaC20H19F2N5
Molecular Weight367.40 g/mol
Exact Mass367.16
IUPAC Name2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1c(C(F)F)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C20H19F2N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14/h3-7,9,11-12,20H,8,10H2,1-2H3
InChIKeyRTCIVEGLSZFQFD-UHFFFAOYSA-N
XLogP4.16
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Avapritinib
CID 118023034
Savolitinib
CID 68289010
Pf-05180999
CID 60143346
Adipiplon
CID 11198924
Vactosertib
CID 54766013
Ly-2584702
CID 25118925
R121919
CID 9821250
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
5-(3-(Difluoromethyl)-4-fluorophenyl)-3-((2-methyl-1H-imidazol-1-yl)methyl)pyridazine
CID 22240172
FK-739 free acid
CID 9801627
Fazadinium Bromide
CID 6321422

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (CID 118278204) is 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is Cc1c(C(F)F)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The InChIKey is RTCIVEGLSZFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14/h3-7,9,11-12,20H,8,10H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine has a molecular weight of 367.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).