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

C23H28N6O3S — CID 138686662

IUPAC8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(C4CN(CCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H28N6O3S/c1-14(2)20-21(15-9-19(32-3)23-24-13-25-29(23)12-15)27-18-6-5-17(26-22(18)20)16-10-28(11-16)7-8-33(4,30)31/h5-6,9,12-14,16,27H,7-8,10-11H2,1-4H3
InChIKeyQUOMDXKNXHPBKV-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.85
Rot. Bonds7

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

8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686662) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686662
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(C4CN(CCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H28N6O3S/c1-14(2)20-21(15-9-19(32-3)23-24-13-25-29(23)12-15)27-18-6-5-17(26-22(18)20)16-10-28(11-16)7-8-33(4,30)31/h5-6,9,12-14,16,27H,7-8,10-11H2,1-4H3
InChIKeyQUOMDXKNXHPBKV-UHFFFAOYSA-N
XLogP2.85
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686662) is 8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(C4CN(CCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QUOMDXKNXHPBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-14(2)20-21(15-9-19(32-3)23-24-13-25-29(23)12-15)27-18-6-5-17(26-22(18)20)16-10-28(11-16)7-8-33(4,30)31/h5-6,9,12-14,16,27H,7-8,10-11H2,1-4H3.
What are the key properties of 8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 468.58 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[5-[1-(2-methylsulfonylethyl)azetidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).