6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C21H26FN5O2 — CID 123401473

IUPAC6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCCC1(F)CCCC1Nc1c(C(N)=O)cnn2cc(N3CC(C)=C(C)C3=O)cc12
InChIInChI=1S/C21H26FN5O2/c1-4-21(22)7-5-6-17(21)25-18-15(19(23)28)9-24-27-11-14(8-16(18)27)26-10-12(2)13(3)20(26)29/h8-9,11,17,25H,4-7,10H2,1-3H3,(H2,23,28)
InChIKeyBRGVEPOFNZUMRC-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.20
Rot. Bonds5

About 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123401473) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID123401473
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC Name6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCCC1(F)CCCC1Nc1c(C(N)=O)cnn2cc(N3CC(C)=C(C)C3=O)cc12
InChIInChI=1S/C21H26FN5O2/c1-4-21(22)7-5-6-17(21)25-18-15(19(23)28)9-24-27-11-14(8-16(18)27)26-10-12(2)13(3)20(26)29/h8-9,11,17,25H,4-7,10H2,1-3H3,(H2,23,28)
InChIKeyBRGVEPOFNZUMRC-UHFFFAOYSA-N
XLogP3.20
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

Edecesertib
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4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
4-{[(1r,3s)-3-Amino-2,2,3-Trimethylcyclopentyl]amino}-6-Phenylpyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 117769575
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
Jak-IN-3
CID 68291755
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
N-(5-(2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyridine-3-carboxamide
CID 71283628
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91755097
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(3-methylphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769234

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 123401473) is 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CCC1(F)CCCC1Nc1c(C(N)=O)cnn2cc(N3CC(C)=C(C)C3=O)cc12.
What is the InChIKey of 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is BRGVEPOFNZUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-4-21(22)7-5-6-17(21)25-18-15(19(23)28)9-24-27-11-14(8-16(18)27)26-10-12(2)13(3)20(26)29/h8-9,11,17,25H,4-7,10H2,1-3H3,(H2,23,28).
What are the key properties of 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-4-[(2-ethyl-2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123401473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).