2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid

C13H19N3O4S — CID 166293304

IUPAC2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)c1cnn2c1CCCC2
InChIInChI=1S/C13H19N3O4S/c17-13(18)9-15(8-10-4-5-10)21(19,20)12-7-14-16-6-2-1-3-11(12)16/h7,10H,1-6,8-9H2,(H,17,18)
InChIKeyDJSCNHHRNXTKDE-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.70
Rot. Bonds6

About 2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid

2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid (PubChem CID 166293304) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid
PubChem CID166293304
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)c1cnn2c1CCCC2
InChIInChI=1S/C13H19N3O4S/c17-13(18)9-15(8-10-4-5-10)21(19,20)12-7-14-16-6-2-1-3-11(12)16/h7,10H,1-6,8-9H2,(H,17,18)
InChIKeyDJSCNHHRNXTKDE-UHFFFAOYSA-N
XLogP0.70
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid (CID 166293304) is 2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid is O=C(O)CN(CC1CC1)S(=O)(=O)c1cnn2c1CCCC2.
What is the InChIKey of 2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid?
The InChIKey is DJSCNHHRNXTKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-13(18)9-15(8-10-4-5-10)21(19,20)12-7-14-16-6-2-1-3-11(12)16/h7,10H,1-6,8-9H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid?
2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid has a molecular weight of 313.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 166293304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).