4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C18H22N6O2 — CID 77463814

IUPAC4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCCC1CNCC1Nc1c(C(N)=O)cnn2cc(-c3cc(C)no3)cc12
InChIInChI=1S/C18H22N6O2/c1-3-11-6-20-8-14(11)22-17-13(18(19)25)7-21-24-9-12(5-15(17)24)16-4-10(2)23-26-16/h4-5,7,9,11,14,20,22H,3,6,8H2,1-2H3,(H2,19,25)
InChIKeyGSTJQNSBMRHJMY-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.81
Rot. Bonds5

About 4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77463814) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77463814
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCCC1CNCC1Nc1c(C(N)=O)cnn2cc(-c3cc(C)no3)cc12
InChIInChI=1S/C18H22N6O2/c1-3-11-6-20-8-14(11)22-17-13(18(19)25)7-21-24-9-12(5-15(17)24)16-4-10(2)23-26-16/h4-5,7,9,11,14,20,22H,3,6,8H2,1-2H3,(H2,19,25)
InChIKeyGSTJQNSBMRHJMY-UHFFFAOYSA-N
XLogP1.81
TPSA110.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(3,5-dimethylisoxazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280244
N-(4-isoxazol-5-ylphenyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 24790939
(3S,4S)-tert-butyl 3-((3-carbamoyl-6-(3-methylisoxazol-5-yl)pyrrolo[1,2-b]pyridazin-4-yl)amino)-4-ethylpyrrolidine-1-carboxylate
CID 68291147
US11472802, Example 69
CID 139331381
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide
CID 155522505
3-(3-Methyl-1H-pyrazol-1-YL)-N-[4-(1,2-oxazol-5-YL)phenyl]butanamide
CID 24790913
3,5-dimethyl-4-[3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 81689821
4-[1-[(4,4-Difluorocyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 90448949
4-[1-[(1-Fluorocyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 90448951
4-[1-[(4,4-Difluorocyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 90448974
3,5-dimethyl-4-[1-(1-phenylethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 90448976

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77463814) is 4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is CCC1CNCC1Nc1c(C(N)=O)cnn2cc(-c3cc(C)no3)cc12.
What is the InChIKey of 4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GSTJQNSBMRHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-11-6-20-8-14(11)22-17-13(18(19)25)7-21-24-9-12(5-15(17)24)16-4-10(2)23-26-16/h4-5,7,9,11,14,20,22H,3,6,8H2,1-2H3,(H2,19,25).
What are the key properties of 4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77463814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).