6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide

C20H20ClFN6O — CID 145148924

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide
SMILESCc1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3C(C)C)nn12.NC=O
InChIInChI=1S/C19H17ClFN5.CH3NO/c1-11(2)25-10-23-18(13-4-5-15(21)14(20)8-13)19(25)16-6-7-17-22-9-12(3)26(17)24-16;2-1-3/h4-11H,1-3H3;1H,(H2,2,3)
InChIKeyHLWZDMHUYWTCRU-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.04
Rot. Bonds3

About 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide

6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide (PubChem CID 145148924) has the molecular formula C20H20ClFN6O and a molecular weight of 414.87 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide
PubChem CID145148924
Molecular FormulaC20H20ClFN6O
Molecular Weight414.87 g/mol
Exact Mass414.14
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide
SMILESCc1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3C(C)C)nn12.NC=O
InChIInChI=1S/C19H17ClFN5.CH3NO/c1-11(2)25-10-23-18(13-4-5-15(21)14(20)8-13)19(25)16-6-7-17-22-9-12(3)26(17)24-16;2-1-3/h4-11H,1-3H3;1H,(H2,2,3)
InChIKeyHLWZDMHUYWTCRU-UHFFFAOYSA-N
XLogP4.04
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-[5-(3-chloro-4-fluorophenyl)-3-(3-methylbutyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-b]pyridazine
CID 140737275
1-[4-(3-chloro-4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]propan-2-ol
CID 147376187
6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclobutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 146410081
6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 146401628
5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62018105
6-[3-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine
CID 145149047
(Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine
CID 70970553
6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510893
3-methyl-6-phenylimidazo[1,2-b]pyridazine
CID 13112863
3-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43145825
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)pyrazole-4-carbaldehyde
CID 61270717
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide (CID 145148924) is 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide is Cc1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3C(C)C)nn12.NC=O.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide?
The InChIKey is HLWZDMHUYWTCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5.CH3NO/c1-11(2)25-10-23-18(13-4-5-15(21)14(20)8-13)19(25)16-6-7-17-22-9-12(3)26(17)24-16;2-1-3/h4-11H,1-3H3;1H,(H2,2,3).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide?
6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide has a molecular weight of 414.87 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide is sourced from PubChem (CID 145148924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).