5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C14H17N5O2S — CID 70730217

IUPAC5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ncsc1CCC(=O)N1CCc2[nH]nc(C(N)=O)c2C1
InChIInChI=1S/C14H17N5O2S/c1-8-11(22-7-16-8)2-3-12(20)19-5-4-10-9(6-19)13(14(15)21)18-17-10/h7H,2-6H2,1H3,(H2,15,21)(H,17,18)
InChIKeyKFEPXVNTFVGXCH-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.79
Rot. Bonds4

About 5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 70730217) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID70730217
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ncsc1CCC(=O)N1CCc2[nH]nc(C(N)=O)c2C1
InChIInChI=1S/C14H17N5O2S/c1-8-11(22-7-16-8)2-3-12(20)19-5-4-10-9(6-19)13(14(15)21)18-17-10/h7H,2-6H2,1H3,(H2,15,21)(H,17,18)
InChIKeyKFEPXVNTFVGXCH-UHFFFAOYSA-N
XLogP0.79
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 70730217) is 5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ncsc1CCC(=O)N1CCc2[nH]nc(C(N)=O)c2C1.
What is the InChIKey of 5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KFEPXVNTFVGXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-8-11(22-7-16-8)2-3-12(20)19-5-4-10-9(6-19)13(14(15)21)18-17-10/h7H,2-6H2,1H3,(H2,15,21)(H,17,18).
What are the key properties of 5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 70730217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).