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

C23H29N7O3 — CID 77463827

IUPAC4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCCC1CNCC1Nc1c(C(N)=O)cnn2cc(-c3ccc(CNC(=O)COC)nc3)cc12
InChIInChI=1S/C23H29N7O3/c1-3-14-7-25-11-19(14)29-22-18(23(24)32)10-28-30-12-16(6-20(22)30)15-4-5-17(26-8-15)9-27-21(31)13-33-2/h4-6,8,10,12,14,19,25,29H,3,7,9,11,13H2,1-2H3,(H2,24,32)(H,27,31)
InChIKeyUSSZOUQSIULCOD-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.17
Rot. Bonds9

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

4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77463827) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77463827
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCCC1CNCC1Nc1c(C(N)=O)cnn2cc(-c3ccc(CNC(=O)COC)nc3)cc12
InChIInChI=1S/C23H29N7O3/c1-3-14-7-25-11-19(14)29-22-18(23(24)32)10-28-30-12-16(6-20(22)30)15-4-5-17(26-8-15)9-27-21(31)13-33-2/h4-6,8,10,12,14,19,25,29H,3,7,9,11,13H2,1-2H3,(H2,24,32)(H,27,31)
InChIKeyUSSZOUQSIULCOD-UHFFFAOYSA-N
XLogP1.17
TPSA135.67 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

benzyl (3S,4S)-3-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-4-ethylpyrrolidine-1-carboxylate;benzyl (3S,4S)-3-[[3-carbamoyl-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]amino]-4-ethylpyrrolidine-1-carboxylate
CID 157219605
4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463814
2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide
CID 123229435
4-[[(3S,4S)-1-(5-cyanopyrimidin-2-yl)-4-ethylpyrrolidin-3-yl]amino]-6-(1-methyl-6-oxo-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 66547940
4-[(2,3-dimethylcyclopentyl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123839186
4-[[(3R,4R)-3-ethyl-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]amino]-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937367
[2-[[3-[3-carbamoyl-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazin-6-yl]phenyl]methylamino]-2-oxoethyl] acetate
CID 77487448
tert-butyl (3S,4S)-3-[[3-carbamoyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolo[1,2-b]pyridazin-4-yl]amino]-4-methylpyrrolidine-1-carboxylate;6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[[(3S,4S)-4-methylpyrrolidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 160527620
6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123502961
6-[1-(2-cyanoethyl)pyrazol-4-yl]-4-[(3-ethyl-1-methylsulfonylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463725
ethyl N-[3-[(3-carbamoyl-6-phenylpyrrolo[1,2-b]pyridazin-4-yl)amino]-1,2,2-trimethylcyclopentyl]carbamate
CID 77137119
4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487566

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77463827) is 4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide is CCC1CNCC1Nc1c(C(N)=O)cnn2cc(-c3ccc(CNC(=O)COC)nc3)cc12.
What is the InChIKey of 4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is USSZOUQSIULCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-3-14-7-25-11-19(14)29-22-18(23(24)32)10-28-30-12-16(6-20(22)30)15-4-5-17(26-8-15)9-27-21(31)13-33-2/h4-6,8,10,12,14,19,25,29H,3,7,9,11,13H2,1-2H3,(H2,24,32)(H,27,31).
What are the key properties of 4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 1.17, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77463827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).