1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine

C28H40N8O2 — CID 144738293

IUPAC1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine
SMILESCC.CCCCn1c(=O)c(C(=O)N[C@H]2CCN(c3ccc4ncc(C)n4n3)C2)c(C)n1C.c1ccncc1
InChIInChI=1S/C21H29N7O2.C5H5N.C2H6/c1-5-6-10-27-21(30)19(15(3)25(27)4)20(29)23-16-9-11-26(13-16)18-8-7-17-22-12-14(2)28(17)24-18;1-2-4-6-5-3-1;1-2/h7-8,12,16H,5-6,9-11,13H2,1-4H3,(H,23,29);1-5H;1-2H3/t16-;;/m0../s1
InChIKeyLRYNOAMFUBEZGS-SQKCAUCHSA-N
MW520.68 g/mol
LogP3.76
Rot. Bonds6

About 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine

1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine (PubChem CID 144738293) has the molecular formula C28H40N8O2 and a molecular weight of 520.68 g/mol. Its IUPAC name is 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine.

Molecular Properties

Compound Name1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine
PubChem CID144738293
Molecular FormulaC28H40N8O2
Molecular Weight520.68 g/mol
Exact Mass520.33
IUPAC Name1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine
SMILESCC.CCCCn1c(=O)c(C(=O)N[C@H]2CCN(c3ccc4ncc(C)n4n3)C2)c(C)n1C.c1ccncc1
InChIInChI=1S/C21H29N7O2.C5H5N.C2H6/c1-5-6-10-27-21(30)19(15(3)25(27)4)20(29)23-16-9-11-26(13-16)18-8-7-17-22-12-14(2)28(17)24-18;1-2-4-6-5-3-1;1-2/h7-8,12,16H,5-6,9-11,13H2,1-4H3,(H,23,29);1-5H;1-2H3/t16-;;/m0../s1
InChIKeyLRYNOAMFUBEZGS-SQKCAUCHSA-N
XLogP3.76
TPSA102.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.68
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine
CID 144738199
1-butan-2-yl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene
CID 144738046
1-ethyl-5-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-oxo-2-phenylpyrazole-4-carboxamide
CID 144737893
1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene
CID 144738702
ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 144738685
N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine
CID 144737967
N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide
CID 144737975
acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene
CID 144738143
acetylene;ethane;fluorobenzene;4-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-[(E)-prop-1-enyl]pyridine-2-carboxamide
CID 144737896
ethane;5-ethenyl-4-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene
CID 144737940
N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene
CID 144738717
N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 134801769

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine?
The IUPAC name of 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine (CID 144738293) is 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine.
What is the SMILES notation for 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine?
The canonical SMILES for 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine is CC.CCCCn1c(=O)c(C(=O)N[C@H]2CCN(c3ccc4ncc(C)n4n3)C2)c(C)n1C.c1ccncc1.
What is the InChIKey of 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine?
The InChIKey is LRYNOAMFUBEZGS-SQKCAUCHSA-N. The full InChI is InChI=1S/C21H29N7O2.C5H5N.C2H6/c1-5-6-10-27-21(30)19(15(3)25(27)4)20(29)23-16-9-11-26(13-16)18-8-7-17-22-12-14(2)28(17)24-18;1-2-4-6-5-3-1;1-2/h7-8,12,16H,5-6,9-11,13H2,1-4H3,(H,23,29);1-5H;1-2H3/t16-;;/m0../s1.
What are the key properties of 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine?
1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine has a molecular weight of 520.68 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine is sourced from PubChem (CID 144738293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).