2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

C18H19Cl2N5O3S — CID 42890223

IUPAC2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C18H19Cl2N5O3S/c1-10(2)25-17-12(8-22-25)6-13(9-21-17)23-18(26)11(3)24-29(27,28)14-4-5-15(19)16(20)7-14/h4-11,24H,1-3H3,(H,23,26)
InChIKeyYGSIWPPGFODFMX-UHFFFAOYSA-N
MW456.36 g/mol
LogP3.62
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide (PubChem CID 42890223) has the molecular formula C18H19Cl2N5O3S and a molecular weight of 456.36 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
PubChem CID42890223
Molecular FormulaC18H19Cl2N5O3S
Molecular Weight456.36 g/mol
Exact Mass455.06
IUPAC Name2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C18H19Cl2N5O3S/c1-10(2)25-17-12(8-22-25)6-13(9-21-17)23-18(26)11(3)24-29(27,28)14-4-5-15(19)16(20)7-14/h4-11,24H,1-3H3,(H,23,26)
InChIKeyYGSIWPPGFODFMX-UHFFFAOYSA-N
XLogP3.62
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344423
(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37244583
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 51080497
4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide
CID 17398797
2-[(3,4-dichlorophenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110601229
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide
CID 30156254
2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693470
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344346
(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 34313702
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide (CID 42890223) is 2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide is CC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The InChIKey is YGSIWPPGFODFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O3S/c1-10(2)25-17-12(8-22-25)6-13(9-21-17)23-18(26)11(3)24-29(27,28)14-4-5-15(19)16(20)7-14/h4-11,24H,1-3H3,(H,23,26).
What are the key properties of 2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide has a molecular weight of 456.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 42890223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).