N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C17H22N6O4S2 — CID 91629607

IUPACN-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)s1
InChIInChI=1S/C17H22N6O4S2/c1-12(24)20-17-18-11-15(28-17)29(26,27)22-8-6-21(7-9-22)16(25)13-10-19-23-5-3-2-4-14(13)23/h10-11H,2-9H2,1H3,(H,18,20,24)
InChIKeyZWFHTMUOYJABAU-UHFFFAOYSA-N
MW438.54 g/mol
LogP0.78
Rot. Bonds4

About N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 91629607) has the molecular formula C17H22N6O4S2 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID91629607
Molecular FormulaC17H22N6O4S2
Molecular Weight438.54 g/mol
Exact Mass438.11
IUPAC NameN-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)s1
InChIInChI=1S/C17H22N6O4S2/c1-12(24)20-17-18-11-15(28-17)29(26,27)22-8-6-21(7-9-22)16(25)13-10-19-23-5-3-2-4-14(13)23/h10-11H,2-9H2,1H3,(H,18,20,24)
InChIKeyZWFHTMUOYJABAU-UHFFFAOYSA-N
XLogP0.78
TPSA117.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 91629607) is N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)s1.
What is the InChIKey of N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZWFHTMUOYJABAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O4S2/c1-12(24)20-17-18-11-15(28-17)29(26,27)22-8-6-21(7-9-22)16(25)13-10-19-23-5-3-2-4-14(13)23/h10-11H,2-9H2,1H3,(H,18,20,24).
What are the key properties of N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 438.54 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 91629607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).