5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid

C23H22N6O5S — CID 171063563

IUPAC5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid
SMILESCOc1nc(Nc2ccc(C3(S(C)(=O)=O)CC3)cc2)c(C(=O)O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H22N6O5S/c1-29-12-25-17-15(10-24-11-16(17)29)18-21(34-2)28-20(19(27-18)22(30)31)26-14-6-4-13(5-7-14)23(8-9-23)35(3,32)33/h4-7,10-12H,8-9H2,1-3H3,(H,26,28)(H,30,31)
InChIKeyGPOOVSKHDIRSGB-UHFFFAOYSA-N
MW494.53 g/mol
LogP2.91
Rot. Bonds7

About 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid

5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid (PubChem CID 171063563) has the molecular formula C23H22N6O5S and a molecular weight of 494.53 g/mol. Its IUPAC name is 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid
PubChem CID171063563
Molecular FormulaC23H22N6O5S
Molecular Weight494.53 g/mol
Exact Mass494.14
IUPAC Name5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid
SMILESCOc1nc(Nc2ccc(C3(S(C)(=O)=O)CC3)cc2)c(C(=O)O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C23H22N6O5S/c1-29-12-25-17-15(10-24-11-16(17)29)18-21(34-2)28-20(19(27-18)22(30)31)26-14-6-4-13(5-7-14)23(8-9-23)35(3,32)33/h4-7,10-12H,8-9H2,1-3H3,(H,26,28)(H,30,31)
InChIKeyGPOOVSKHDIRSGB-UHFFFAOYSA-N
XLogP2.91
TPSA149.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid (CID 171063563) is 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid is COc1nc(Nc2ccc(C3(S(C)(=O)=O)CC3)cc2)c(C(=O)O)nc1-c1cncc2c1ncn2C.
What is the InChIKey of 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid?
The InChIKey is GPOOVSKHDIRSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O5S/c1-29-12-25-17-15(10-24-11-16(17)29)18-21(34-2)28-20(19(27-18)22(30)31)26-14-6-4-13(5-7-14)23(8-9-23)35(3,32)33/h4-7,10-12H,8-9H2,1-3H3,(H,26,28)(H,30,31).
What are the key properties of 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid?
5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid has a molecular weight of 494.53 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 171063563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).