4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C20H28N6O2 — CID 77468190

IUPAC4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(N)CCC(Nc2c(C(N)=O)cnn3cc(N4CCCC4=O)cc23)C1(C)C
InChIInChI=1S/C20H28N6O2/c1-19(2)15(6-7-20(19,3)22)24-17-13(18(21)28)10-23-26-11-12(9-14(17)26)25-8-4-5-16(25)27/h9-11,15,24H,4-8,22H2,1-3H3,(H2,21,28)
InChIKeyGMOCRGCGKPNECY-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.88
Rot. Bonds4

About 4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77468190) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77468190
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(N)CCC(Nc2c(C(N)=O)cnn3cc(N4CCCC4=O)cc23)C1(C)C
InChIInChI=1S/C20H28N6O2/c1-19(2)15(6-7-20(19,3)22)24-17-13(18(21)28)10-23-26-11-12(9-14(17)26)25-8-4-5-16(25)27/h9-11,15,24H,4-8,22H2,1-3H3,(H2,21,28)
InChIKeyGMOCRGCGKPNECY-UHFFFAOYSA-N
XLogP1.88
TPSA118.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723918
CID 123862117
CID 123862117
6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914624
6-phenyl-4-[[(1R,3R)-2,2,3-trimethyl-3-(2-oxo-3-phenylpropyl)cyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 159344129
ethyl N-[3-[(3-carbamoyl-6-phenylpyrrolo[1,2-b]pyridazin-4-yl)amino]-1,2,2-trimethylcyclopentyl]carbamate
CID 77137119
benzyl N-[3-carbamoyl-4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamate
CID 66547255
4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723921
4-[[(1R,2R)-2-fluoro-2-methylcyclopentyl]amino]-6-(4-methyl-2-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123491050
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-bromo-N'-(4-ethyl-6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375923
6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914486

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77468190) is 4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1(N)CCC(Nc2c(C(N)=O)cnn3cc(N4CCCC4=O)cc23)C1(C)C.
What is the InChIKey of 4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GMOCRGCGKPNECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-19(2)15(6-7-20(19,3)22)24-17-13(18(21)28)10-23-26-11-12(9-14(17)26)25-8-4-5-16(25)27/h9-11,15,24H,4-8,22H2,1-3H3,(H2,21,28).
What are the key properties of 4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77468190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).