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

C25H19N7O3S — CID 146639407

IUPAC1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
SMILESCn1cc(-c2cnc3cnn(S(=O)c4cnc5ccc(-c6ccc7c(c6)OCCO7)cn45)c3c2)cn1
InChIInChI=1S/C25H19N7O3S/c1-30-14-19(11-28-30)18-8-21-20(26-10-18)12-29-32(21)36(33)25-13-27-24-5-3-17(15-31(24)25)16-2-4-22-23(9-16)35-7-6-34-22/h2-5,8-15H,6-7H2,1H3
InChIKeyMJRSDBAJOJOITD-UHFFFAOYSA-N
MW497.54 g/mol
LogP3.49
Rot. Bonds4

About 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-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]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine (PubChem CID 146639407) has the molecular formula C25H19N7O3S and a molecular weight of 497.54 g/mol. Its IUPAC name is 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
PubChem CID146639407
Molecular FormulaC25H19N7O3S
Molecular Weight497.54 g/mol
Exact Mass497.13
IUPAC Name1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
SMILESCn1cc(-c2cnc3cnn(S(=O)c4cnc5ccc(-c6ccc7c(c6)OCCO7)cn45)c3c2)cn1
InChIInChI=1S/C25H19N7O3S/c1-30-14-19(11-28-30)18-8-21-20(26-10-18)12-29-32(21)36(33)25-13-27-24-5-3-17(15-31(24)25)16-2-4-22-23(9-16)35-7-6-34-22/h2-5,8-15H,6-7H2,1H3
InChIKeyMJRSDBAJOJOITD-UHFFFAOYSA-N
XLogP3.49
TPSA101.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine (CID 146639407) is 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[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-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine is Cn1cc(-c2cnc3cnn(S(=O)c4cnc5ccc(-c6ccc7c(c6)OCCO7)cn45)c3c2)cn1.
What is the InChIKey of 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine?
The InChIKey is MJRSDBAJOJOITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O3S/c1-30-14-19(11-28-30)18-8-21-20(26-10-18)12-29-32(21)36(33)25-13-27-24-5-3-17(15-31(24)25)16-2-4-22-23(9-16)35-7-6-34-22/h2-5,8-15H,6-7H2,1H3.
What are the key properties of 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-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]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine has a molecular weight of 497.54 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 146639407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).