3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide

C24H31N5O4S — CID 55920209

IUPAC3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)Nc3ccccc3S(=O)(=O)N3CCCCC3)c(C)c12
InChIInChI=1S/C24H31N5O4S/c1-16-18(17(2)25-23-22(16)24(33-4)27-28(23)3)12-13-21(30)26-19-10-6-7-11-20(19)34(31,32)29-14-8-5-9-15-29/h6-7,10-11H,5,8-9,12-15H2,1-4H3,(H,26,30)
InChIKeyLQLBIMANBSRWMJ-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.34
Rot. Bonds7

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55920209) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55920209
Molecular FormulaC24H31N5O4S
Molecular Weight485.61 g/mol
Exact Mass485.21
IUPAC Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)Nc3ccccc3S(=O)(=O)N3CCCCC3)c(C)c12
InChIInChI=1S/C24H31N5O4S/c1-16-18(17(2)25-23-22(16)24(33-4)27-28(23)3)12-13-21(30)26-19-10-6-7-11-20(19)34(31,32)29-14-8-5-9-15-29/h6-7,10-11H,5,8-9,12-15H2,1-4H3,(H,26,30)
InChIKeyLQLBIMANBSRWMJ-UHFFFAOYSA-N
XLogP3.34
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide
CID 86930170
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
methyl 2-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]thiophene-3-carboxylate
CID 55876951
N-(1-cyanocyclohexyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 87012100
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55908067
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 112820934
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119641632

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide (CID 55920209) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide is COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccccc3S(=O)(=O)N3CCCCC3)c(C)c12.
What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is LQLBIMANBSRWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-16-18(17(2)25-23-22(16)24(33-4)27-28(23)3)12-13-21(30)26-19-10-6-7-11-20(19)34(31,32)29-14-8-5-9-15-29/h6-7,10-11H,5,8-9,12-15H2,1-4H3,(H,26,30).
What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide?
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 485.61 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55920209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).