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

C16H20N6OS — CID 123841825

IUPAC3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1CN=CCC1c1n[nH]c2c1CN(C(=O)Nc1nccs1)CC2
InChIInChI=1S/C16H20N6OS/c1-10-8-17-4-2-11(10)14-12-9-22(6-3-13(12)20-21-14)16(23)19-15-18-5-7-24-15/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,20,21)(H,18,19,23)
InChIKeyQZZUXIBVHGGBCZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.65
Rot. Bonds2

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

3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 123841825) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID123841825
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1CN=CCC1c1n[nH]c2c1CN(C(=O)Nc1nccs1)CC2
InChIInChI=1S/C16H20N6OS/c1-10-8-17-4-2-11(10)14-12-9-22(6-3-13(12)20-21-14)16(23)19-15-18-5-7-24-15/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,20,21)(H,18,19,23)
InChIKeyQZZUXIBVHGGBCZ-UHFFFAOYSA-N
XLogP2.65
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 123841825) is 3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CC1CN=CCC1c1n[nH]c2c1CN(C(=O)Nc1nccs1)CC2.
What is the InChIKey of 3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is QZZUXIBVHGGBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10-8-17-4-2-11(10)14-12-9-22(6-3-13(12)20-21-14)16(23)19-15-18-5-7-24-15/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,20,21)(H,18,19,23).
What are the key properties of 3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 123841825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).