ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide

C25H29FN6O2 — CID 144738685

IUPACethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC.Cc1cnc2ccc(N3CC[C@H](NC(=O)c4cccc(=O)[nH]4)C3)nn12.Fc1ccccc1
InChIInChI=1S/C17H18N6O2.C6H5F.C2H6/c1-11-9-18-14-5-6-15(21-23(11)14)22-8-7-12(10-22)19-17(25)13-3-2-4-16(24)20-13;7-6-4-2-1-3-5-6;1-2/h2-6,9,12H,7-8,10H2,1H3,(H,19,25)(H,20,24);1-5H;1-2H3/t12-;;/m0../s1
InChIKeyNZSMBBWHPGXQIR-LTCKWSDVSA-N
MW464.55 g/mol
LogP3.59
Rot. Bonds3

About ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide

ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 144738685) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID144738685
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Nameethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC.Cc1cnc2ccc(N3CC[C@H](NC(=O)c4cccc(=O)[nH]4)C3)nn12.Fc1ccccc1
InChIInChI=1S/C17H18N6O2.C6H5F.C2H6/c1-11-9-18-14-5-6-15(21-23(11)14)22-8-7-12(10-22)19-17(25)13-3-2-4-16(24)20-13;7-6-4-2-1-3-5-6;1-2/h2-6,9,12H,7-8,10H2,1H3,(H,19,25)(H,20,24);1-5H;1-2H3/t12-;;/m0../s1
InChIKeyNZSMBBWHPGXQIR-LTCKWSDVSA-N
XLogP3.59
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide 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

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;5-ethenyl-4-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene
CID 144737940
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
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
N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide
CID 144737975
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
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
ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine
CID 144738199
4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene
CID 144738488
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
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
3,5-dichloro-2-hydroxy-N-[(3S)-1-[3-[(E)-prop-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]benzamide;fluorobenzene
CID 144738243

Frequently Asked Questions

What is the IUPAC name of ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide (CID 144738685) is ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide is CC.Cc1cnc2ccc(N3CC[C@H](NC(=O)c4cccc(=O)[nH]4)C3)nn12.Fc1ccccc1.
What is the InChIKey of ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is NZSMBBWHPGXQIR-LTCKWSDVSA-N. The full InChI is InChI=1S/C17H18N6O2.C6H5F.C2H6/c1-11-9-18-14-5-6-15(21-23(11)14)22-8-7-12(10-22)19-17(25)13-3-2-4-16(24)20-13;7-6-4-2-1-3-5-6;1-2/h2-6,9,12H,7-8,10H2,1H3,(H,19,25)(H,20,24);1-5H;1-2H3/t12-;;/m0../s1.
What are the key properties of ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 144738685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).