(5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C13H16N4O3S2 — CID 164641009

IUPAC(5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)c2cnn3c2C[C@@H](C)CC3)s1
InChIInChI=1S/C13H16N4O3S2/c1-8-3-4-17-11(5-8)10(6-15-17)13(18)16-22(19,20)12-7-14-9(2)21-12/h6-8H,3-5H2,1-2H3,(H,16,18)/t8-/m0/s1
InChIKeyGAYFIPVLAUQMOZ-QMMMGPOBSA-N
MW340.43 g/mol
LogP1.35
Rot. Bonds3

About (5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 164641009) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID164641009
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name(5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)c2cnn3c2C[C@@H](C)CC3)s1
InChIInChI=1S/C13H16N4O3S2/c1-8-3-4-17-11(5-8)10(6-15-17)13(18)16-22(19,20)12-7-14-9(2)21-12/h6-8H,3-5H2,1-2H3,(H,16,18)/t8-/m0/s1
InChIKeyGAYFIPVLAUQMOZ-QMMMGPOBSA-N
XLogP1.35
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of (5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 164641009) is (5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for (5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for (5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ncc(S(=O)(=O)NC(=O)c2cnn3c2C[C@@H](C)CC3)s1.
What is the InChIKey of (5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is GAYFIPVLAUQMOZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-8-3-4-17-11(5-8)10(6-15-17)13(18)16-22(19,20)12-7-14-9(2)21-12/h6-8H,3-5H2,1-2H3,(H,16,18)/t8-/m0/s1.
What are the key properties of (5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
(5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 164641009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).