1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C10H13N5O3S — CID 143109431

IUPAC1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCS(=O)(=O)NCCn1ncc2cc(C(N)=O)cnc21
InChIInChI=1S/C10H13N5O3S/c1-19(17,18)14-2-3-15-10-8(6-13-15)4-7(5-12-10)9(11)16/h4-6,14H,2-3H2,1H3,(H2,11,16)
InChIKeyKVNBUBRVZCHOFS-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.92
Rot. Bonds5

About 1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 143109431) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID143109431
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCS(=O)(=O)NCCn1ncc2cc(C(N)=O)cnc21
InChIInChI=1S/C10H13N5O3S/c1-19(17,18)14-2-3-15-10-8(6-13-15)4-7(5-12-10)9(11)16/h4-6,14H,2-3H2,1H3,(H2,11,16)
InChIKeyKVNBUBRVZCHOFS-UHFFFAOYSA-N
XLogP-0.92
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 143109431) is 1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CS(=O)(=O)NCCn1ncc2cc(C(N)=O)cnc21.
What is the InChIKey of 1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is KVNBUBRVZCHOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-19(17,18)14-2-3-15-10-8(6-13-15)4-7(5-12-10)9(11)16/h4-6,14H,2-3H2,1H3,(H2,11,16).
What are the key properties of 1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 283.31 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 143109431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).