1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C26H31N7OS — CID 26135829

IUPAC1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCn1nc(C)c(CN2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)c1C
InChIInChI=1S/C26H31N7OS/c1-4-32-19(3)21(18(2)29-32)16-31-12-10-23-22(17-31)25(26(34)28-14-24-27-11-13-35-24)30-33(23)15-20-8-6-5-7-9-20/h5-9,11,13H,4,10,12,14-17H2,1-3H3,(H,28,34)
InChIKeyQHCDIXBTEVOYTE-UHFFFAOYSA-N
MW489.65 g/mol
LogP3.71
Rot. Bonds8

About 1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26135829) has the molecular formula C26H31N7OS and a molecular weight of 489.65 g/mol. Its IUPAC name is 1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26135829
Molecular FormulaC26H31N7OS
Molecular Weight489.65 g/mol
Exact Mass489.23
IUPAC Name1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCn1nc(C)c(CN2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)c1C
InChIInChI=1S/C26H31N7OS/c1-4-32-19(3)21(18(2)29-32)16-31-12-10-23-22(17-31)25(26(34)28-14-24-27-11-13-35-24)30-33(23)15-20-8-6-5-7-9-20/h5-9,11,13H,4,10,12,14-17H2,1-3H3,(H,28,34)
InChIKeyQHCDIXBTEVOYTE-UHFFFAOYSA-N
XLogP3.71
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.65
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26135829) is 1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCn1nc(C)c(CN2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)c1C.
What is the InChIKey of 1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is QHCDIXBTEVOYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7OS/c1-4-32-19(3)21(18(2)29-32)16-31-12-10-23-22(17-31)25(26(34)28-14-24-27-11-13-35-24)30-33(23)15-20-8-6-5-7-9-20/h5-9,11,13H,4,10,12,14-17H2,1-3H3,(H,28,34).
What are the key properties of 1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 489.65 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26135829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).