N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide

C19H21N5O2 — CID 122561377

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(-c2cnc3cccnn23)c1)C(N)=O
InChIInChI=1S/C19H21N5O2/c1-12(2)9-15(18(20)25)23-19(26)14-6-3-5-13(10-14)16-11-21-17-7-4-8-22-24(16)17/h3-8,10-12,15H,9H2,1-2H3,(H2,20,25)(H,23,26)/t15-/m0/s1
InChIKeyBTQVBBJXRSWFGV-HNNXBMFYSA-N
MW351.41 g/mol
LogP2.03
Rot. Bonds6

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide (PubChem CID 122561377) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
PubChem CID122561377
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(-c2cnc3cccnn23)c1)C(N)=O
InChIInChI=1S/C19H21N5O2/c1-12(2)9-15(18(20)25)23-19(26)14-6-3-5-13(10-14)16-11-21-17-7-4-8-22-24(16)17/h3-8,10-12,15H,9H2,1-2H3,(H2,20,25)(H,23,26)/t15-/m0/s1
InChIKeyBTQVBBJXRSWFGV-HNNXBMFYSA-N
XLogP2.03
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
CID 90480126
3-imidazo[1,2-b]pyridazin-3-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 122562053
2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid
CID 155917758
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
3-amino-N-[(3S)-5-methyl-2-oxohexan-3-yl]benzamide
CID 163583328
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide
CID 173218917
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide
CID 58046443
4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 141367130
1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
CID 25174294
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide (CID 122561377) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide is CC(C)C[C@H](NC(=O)c1cccc(-c2cnc3cccnn23)c1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide?
The InChIKey is BTQVBBJXRSWFGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12(2)9-15(18(20)25)23-19(26)14-6-3-5-13(10-14)16-11-21-17-7-4-8-22-24(16)17/h3-8,10-12,15H,9H2,1-2H3,(H2,20,25)(H,23,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide has a molecular weight of 351.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide is sourced from PubChem (CID 122561377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).