N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

C18H22N4O3S — CID 98221525

IUPACN-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)N(Cc3ccco3)C3CCCC3)cc12
InChIInChI=1S/C18H22N4O3S/c1-13-17-10-16(11-19-18(17)21(2)20-13)26(23,24)22(14-6-3-4-7-14)12-15-8-5-9-25-15/h5,8-11,14H,3-4,6-7,12H2,1-2H3
InChIKeyAQAYSLCSQRAINA-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.00
Rot. Bonds5

About N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 98221525) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID98221525
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)N(Cc3ccco3)C3CCCC3)cc12
InChIInChI=1S/C18H22N4O3S/c1-13-17-10-16(11-19-18(17)21(2)20-13)26(23,24)22(14-6-3-4-7-14)12-15-8-5-9-25-15/h5,8-11,14H,3-4,6-7,12H2,1-2H3
InChIKeyAQAYSLCSQRAINA-UHFFFAOYSA-N
XLogP3.00
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (CID 98221525) is N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is Cc1nn(C)c2ncc(S(=O)(=O)N(Cc3ccco3)C3CCCC3)cc12.
What is the InChIKey of N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is AQAYSLCSQRAINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13-17-10-16(11-19-18(17)21(2)20-13)26(23,24)22(14-6-3-4-7-14)12-15-8-5-9-25-15/h5,8-11,14H,3-4,6-7,12H2,1-2H3.
What are the key properties of N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 98221525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).