2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide

C19H22N4OS — CID 60604418

IUPAC2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide
SMILESCc1cc(C)c2c(-c3ccccc3)nc(SC(C)C(=O)N(C)C)n2n1
InChIInChI=1S/C19H22N4OS/c1-12-11-13(2)21-23-17(12)16(15-9-7-6-8-10-15)20-19(23)25-14(3)18(24)22(4)5/h6-11,14H,1-5H3
InChIKeyIOIMYPNNBJGIKM-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.58
Rot. Bonds4

About 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide

2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide (PubChem CID 60604418) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide
PubChem CID60604418
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide
SMILESCc1cc(C)c2c(-c3ccccc3)nc(SC(C)C(=O)N(C)C)n2n1
InChIInChI=1S/C19H22N4OS/c1-12-11-13(2)21-23-17(12)16(15-9-7-6-8-10-15)20-19(23)25-14(3)18(24)22(4)5/h6-11,14H,1-5H3
InChIKeyIOIMYPNNBJGIKM-UHFFFAOYSA-N
XLogP3.58
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 40966413
(2S)-2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 41157226
ethyl 1-[2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylpropanoyl]piperidine-4-carboxylate
CID 43024022
2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43068236
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 40670366
N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51209021
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
CID 51209606
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-dimethylpropanamide
CID 51210202
2-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 43024020
7-chloro-2-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135689233
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 78812153

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide (CID 60604418) is 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide is Cc1cc(C)c2c(-c3ccccc3)nc(SC(C)C(=O)N(C)C)n2n1.
What is the InChIKey of 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide?
The InChIKey is IOIMYPNNBJGIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-11-13(2)21-23-17(12)16(15-9-7-6-8-10-15)20-19(23)25-14(3)18(24)22(4)5/h6-11,14H,1-5H3.
What are the key properties of 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide?
2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide has a molecular weight of 354.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 60604418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).