N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C25H34N6O3S — CID 16581645

IUPACN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C25H34N6O3S/c1-5-29(6-2)23-11-10-21(35(33,34)30-12-8-7-9-13-30)15-22(23)28-25(32)20-14-19-17-27-31(18(3)4)24(19)26-16-20/h10-11,14-18H,5-9,12-13H2,1-4H3,(H,28,32)
InChIKeyFAWCWXBNRFUCMT-UHFFFAOYSA-N
MW498.65 g/mol
LogP4.29
Rot. Bonds8

About N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 16581645) has the molecular formula C25H34N6O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID16581645
Molecular FormulaC25H34N6O3S
Molecular Weight498.65 g/mol
Exact Mass498.24
IUPAC NameN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C25H34N6O3S/c1-5-29(6-2)23-11-10-21(35(33,34)30-12-8-7-9-13-30)15-22(23)28-25(32)20-14-19-17-27-31(18(3)4)24(19)26-16-20/h10-11,14-18H,5-9,12-13H2,1-4H3,(H,28,32)
InChIKeyFAWCWXBNRFUCMT-UHFFFAOYSA-N
XLogP4.29
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide
CID 25336498
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3547247
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55477863
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
CID 55876228
N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581633
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-propan-2-yloxybenzamide
CID 29169143
4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 55666676
2-[2-(diethylamino)-5-piperidin-1-ylsulfonylanilino]-N-ethylacetamide
CID 17393393
N-[3-(diethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 33225377
3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693406
N-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24601888
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037448

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 16581645) is N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is FAWCWXBNRFUCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3S/c1-5-29(6-2)23-11-10-21(35(33,34)30-12-8-7-9-13-30)15-22(23)28-25(32)20-14-19-17-27-31(18(3)4)24(19)26-16-20/h10-11,14-18H,5-9,12-13H2,1-4H3,(H,28,32).
What are the key properties of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 498.65 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 16581645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).