N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide

C16H15N5O3S — CID 118238140

IUPACN-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3cn(S(=O)(=O)C4CC4)nc3c2)ccn1
InChIInChI=1S/C16H15N5O3S/c1-10(22)19-16-7-11(4-5-17-16)12-6-14-15(18-8-12)9-21(20-14)25(23,24)13-2-3-13/h4-9,13H,2-3H2,1H3,(H,17,19,22)
InChIKeyDMXAFYLVPUBJJA-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.79
Rot. Bonds4

About N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide

N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide (PubChem CID 118238140) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
PubChem CID118238140
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC NameN-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3cn(S(=O)(=O)C4CC4)nc3c2)ccn1
InChIInChI=1S/C16H15N5O3S/c1-10(22)19-16-7-11(4-5-17-16)12-6-14-15(18-8-12)9-21(20-14)25(23,24)13-2-3-13/h4-9,13H,2-3H2,1H3,(H,17,19,22)
InChIKeyDMXAFYLVPUBJJA-UHFFFAOYSA-N
XLogP1.79
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide (CID 118238140) is N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc3cn(S(=O)(=O)C4CC4)nc3c2)ccn1.
What is the InChIKey of N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The InChIKey is DMXAFYLVPUBJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-10(22)19-16-7-11(4-5-17-16)12-6-14-15(18-8-12)9-21(20-14)25(23,24)13-2-3-13/h4-9,13H,2-3H2,1H3,(H,17,19,22).
What are the key properties of N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide has a molecular weight of 357.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118238140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).