6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

C25H31FN6O2S — CID 138687140

IUPAC6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2[nH]c3cc(F)c(C4CCN(CCS(C)(=O)=O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H31FN6O2S/c1-15(2)21-23(18-11-16(3)25-27-14-28-32(25)13-18)29-20-12-19(26)22(30-24(20)21)17-5-7-31(8-6-17)9-10-35(4,33)34/h11-15,17,29H,5-10H2,1-4H3
InChIKeyONMAEFRIKQYZAQ-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.07
Rot. Bonds6

About 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138687140) has the molecular formula C25H31FN6O2S and a molecular weight of 498.63 g/mol. Its IUPAC name is 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138687140
Molecular FormulaC25H31FN6O2S
Molecular Weight498.63 g/mol
Exact Mass498.22
IUPAC Name6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2[nH]c3cc(F)c(C4CCN(CCS(C)(=O)=O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H31FN6O2S/c1-15(2)21-23(18-11-16(3)25-27-14-28-32(25)13-18)29-20-12-19(26)22(30-24(20)21)17-5-7-31(8-6-17)9-10-35(4,33)34/h11-15,17,29H,5-10H2,1-4H3
InChIKeyONMAEFRIKQYZAQ-UHFFFAOYSA-N
XLogP4.07
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 138687140) is 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2[nH]c3cc(F)c(C4CCN(CCS(C)(=O)=O)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ONMAEFRIKQYZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O2S/c1-15(2)21-23(18-11-16(3)25-27-14-28-32(25)13-18)29-20-12-19(26)22(30-24(20)21)17-5-7-31(8-6-17)9-10-35(4,33)34/h11-15,17,29H,5-10H2,1-4H3.
What are the key properties of 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 498.63 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-fluoro-5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138687140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).