1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine

C26H34N6O2S — CID 138725486

IUPAC1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCC(C)c1c(-c2cn(C)c3ncccc23)[nH]c2ccc(N3CCC(NCCS(C)(=O)=O)CC3)nc12
InChIInChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3
InChIKeyAVORCCZLLRXOOK-UHFFFAOYSA-N
MW494.67 g/mol
LogP3.84
Rot. Bonds7

About 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine

1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine (PubChem CID 138725486) has the molecular formula C26H34N6O2S and a molecular weight of 494.67 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine
PubChem CID138725486
Molecular FormulaC26H34N6O2S
Molecular Weight494.67 g/mol
Exact Mass494.25
IUPAC Name1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCC(C)c1c(-c2cn(C)c3ncccc23)[nH]c2ccc(N3CCC(NCCS(C)(=O)=O)CC3)nc12
InChIInChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3
InChIKeyAVORCCZLLRXOOK-UHFFFAOYSA-N
XLogP3.84
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.67
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine?
The IUPAC name of 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine (CID 138725486) is 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine.
What is the SMILES notation for 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine?
The canonical SMILES for 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine is CC(C)c1c(-c2cn(C)c3ncccc23)[nH]c2ccc(N3CCC(NCCS(C)(=O)=O)CC3)nc12.
What is the InChIKey of 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine?
The InChIKey is AVORCCZLLRXOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3.
What are the key properties of 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine?
1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine has a molecular weight of 494.67 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)piperidin-4-amine is sourced from PubChem (CID 138725486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).