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

C24H25N7O2S — CID 26138396

IUPAC1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1ccnn1C)CC2
InChIInChI=1S/C24H25N7O2S/c1-28(13-18-15-34-16-25-18)24(33)22-19-14-30(23(32)21-8-10-26-29(21)2)11-9-20(19)31(27-22)12-17-6-4-3-5-7-17/h3-8,10,15-16H,9,11-14H2,1-2H3
InChIKeyVQLGDYGCNCIVPE-UHFFFAOYSA-N
MW475.58 g/mol
LogP2.59
Rot. Bonds6

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

1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26138396) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is 1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26138396
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC Name1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1ccnn1C)CC2
InChIInChI=1S/C24H25N7O2S/c1-28(13-18-15-34-16-25-18)24(33)22-19-14-30(23(32)21-8-10-26-29(21)2)11-9-20(19)31(27-22)12-17-6-4-3-5-7-17/h3-8,10,15-16H,9,11-14H2,1-2H3
InChIKeyVQLGDYGCNCIVPE-UHFFFAOYSA-N
XLogP2.59
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26138396) is 1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CN(Cc1cscn1)C(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1ccnn1C)CC2.
What is the InChIKey of 1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VQLGDYGCNCIVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S/c1-28(13-18-15-34-16-25-18)24(33)22-19-14-30(23(32)21-8-10-26-29(21)2)11-9-20(19)31(27-22)12-17-6-4-3-5-7-17/h3-8,10,15-16H,9,11-14H2,1-2H3.
What are the key properties of 1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 475.58 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26138396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).