1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine

C17H12ClN7OS — CID 144759878

IUPAC1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
SMILESCn1cc(-c2cnc3cnn(S(=O)c4cnc5ccc(Cl)cn45)c3c2)cn1
InChIInChI=1S/C17H12ClN7OS/c1-23-9-12(6-21-23)11-4-15-14(19-5-11)7-22-25(15)27(26)17-8-20-16-3-2-13(18)10-24(16)17/h2-10H,1H3
InChIKeyMIRXPGBJTQMBMQ-UHFFFAOYSA-N
MW397.85 g/mol
LogP2.70
Rot. Bonds3

About 1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine

1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine (PubChem CID 144759878) has the molecular formula C17H12ClN7OS and a molecular weight of 397.85 g/mol. Its IUPAC name is 1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
PubChem CID144759878
Molecular FormulaC17H12ClN7OS
Molecular Weight397.85 g/mol
Exact Mass397.05
IUPAC Name1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
SMILESCn1cc(-c2cnc3cnn(S(=O)c4cnc5ccc(Cl)cn45)c3c2)cn1
InChIInChI=1S/C17H12ClN7OS/c1-23-9-12(6-21-23)11-4-15-14(19-5-11)7-22-25(15)27(26)17-8-20-16-3-2-13(18)10-24(16)17/h2-10H,1H3
InChIKeyMIRXPGBJTQMBMQ-UHFFFAOYSA-N
XLogP2.70
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(6-methoxyimidazo[1,2-a]pyridin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 121339284
N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine
CID 123604944
6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 158564904
1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 121339192
3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 168665646
6-chloro-2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115403826
3-(3,5-dichlorophenyl)-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164930853
1-[6-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 162033247
2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 71084294
4-chloro-3-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline
CID 137395703
4-chloro-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide
CID 138715674
ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
CID 68704641

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine (CID 144759878) is 1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine is Cn1cc(-c2cnc3cnn(S(=O)c4cnc5ccc(Cl)cn45)c3c2)cn1.
What is the InChIKey of 1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The InChIKey is MIRXPGBJTQMBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN7OS/c1-23-9-12(6-21-23)11-4-15-14(19-5-11)7-22-25(15)27(26)17-8-20-16-3-2-13(18)10-24(16)17/h2-10H,1H3.
What are the key properties of 1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine has a molecular weight of 397.85 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 144759878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).