6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine

C20H22N4O3S — CID 172631776

IUPAC6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(-c3ccc4cnn(C)c4c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C20H22N4O3S/c1-20(2,3)28(25,26)18-12-24-16(11-21-19(24)9-17(18)27-5)13-6-7-14-10-22-23(4)15(14)8-13/h6-12H,1-5H3
InChIKeyBJSXHPAXZOWBHP-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.47
Rot. Bonds3

About 6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine

6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine (PubChem CID 172631776) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine
PubChem CID172631776
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(-c3ccc4cnn(C)c4c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C20H22N4O3S/c1-20(2,3)28(25,26)18-12-24-16(11-21-19(24)9-17(18)27-5)13-6-7-14-10-22-23(4)15(14)8-13/h6-12H,1-5H3
InChIKeyBJSXHPAXZOWBHP-UHFFFAOYSA-N
XLogP3.47
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-tert-butylsulfonyl-7-methoxy-3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine
CID 170616516
5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylpyridin-2-amine
CID 170616418
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 172631885
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
CID 172631453
methyl 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazole-5-carboxylate
CID 172630977
6-tert-butylsulfonyl-7-methoxy-3-[3-(sulfinoamino)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 170616439
6-tert-butylsulfonyl-7-methoxy-3-[3-(sulfinatoamino)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 170616438
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide
CID 170434746
4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 170434784
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoroaniline
CID 172631556
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide
CID 178093984

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine (CID 172631776) is 6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine is COc1cc2ncc(-c3ccc4cnn(C)c4c3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine?
The InChIKey is BJSXHPAXZOWBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-20(2,3)28(25,26)18-12-24-16(11-21-19(24)9-17(18)27-5)13-6-7-14-10-22-23(4)15(14)8-13/h6-12H,1-5H3.
What are the key properties of 6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine?
6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine has a molecular weight of 398.49 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 172631776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).