N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide

C19H20ClN7O2 — CID 175181871

IUPACN-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1cc2cnn(CCC(C)NC(=O)c3cnc4ccc(Cl)nn34)c2cc1N
InChIInChI=1S/C19H20ClN7O2/c1-11(24-19(28)15-10-22-18-4-3-17(20)25-27(15)18)5-6-26-14-8-13(21)16(29-2)7-12(14)9-23-26/h3-4,7-11H,5-6,21H2,1-2H3,(H,24,28)
InChIKeyHURQFTIWYDYXQA-UHFFFAOYSA-N
MW413.87 g/mol
LogP2.53
Rot. Bonds6

About N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide

N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 175181871) has the molecular formula C19H20ClN7O2 and a molecular weight of 413.87 g/mol. Its IUPAC name is N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID175181871
Molecular FormulaC19H20ClN7O2
Molecular Weight413.87 g/mol
Exact Mass413.14
IUPAC NameN-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1cc2cnn(CCC(C)NC(=O)c3cnc4ccc(Cl)nn34)c2cc1N
InChIInChI=1S/C19H20ClN7O2/c1-11(24-19(28)15-10-22-18-4-3-17(20)25-27(15)18)5-6-26-14-8-13(21)16(29-2)7-12(14)9-23-26/h3-4,7-11H,5-6,21H2,1-2H3,(H,24,28)
InChIKeyHURQFTIWYDYXQA-UHFFFAOYSA-N
XLogP2.53
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-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

N-[(2S)-1-[(3-amino-4-methoxyphenyl)methoxy]propan-2-yl]-6-chloro-8-(dimethylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 164786215
tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]carbamate
CID 164786184
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642719
6-chloro-3-(2,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
CID 45141537
6-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 66940785
1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide
CID 75371639
1-benzyl-5,6-dimethoxyindazole
CID 83414174
5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)pyridin-3-amine
CID 171698282
6-chloro-3-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 139975761
tert-butyl N-[6-chloro-3-[1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate
CID 155692138
(3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide
CID 7218359

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide (CID 175181871) is N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide is COc1cc2cnn(CCC(C)NC(=O)c3cnc4ccc(Cl)nn34)c2cc1N.
What is the InChIKey of N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is HURQFTIWYDYXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O2/c1-11(24-19(28)15-10-22-18-4-3-17(20)25-27(15)18)5-6-26-14-8-13(21)16(29-2)7-12(14)9-23-26/h3-4,7-11H,5-6,21H2,1-2H3,(H,24,28).
What are the key properties of N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide?
N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 413.87 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-yl]-6-chloroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 175181871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).