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

C23H23N7O2S — CID 26144491

IUPAC1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nccc1C(=O)N1CCc2c(c(C(=O)NCc3nccs3)nn2Cc2ccccc2)C1
InChIInChI=1S/C23H23N7O2S/c1-28-19(7-9-26-28)23(32)29-11-8-18-17(15-29)21(22(31)25-13-20-24-10-12-33-20)27-30(18)14-16-5-3-2-4-6-16/h2-7,9-10,12H,8,11,13-15H2,1H3,(H,25,31)
InChIKeyMZFVPTHLEQHVPL-UHFFFAOYSA-N
MW461.55 g/mol
LogP2.25
Rot. Bonds6

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

1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26144491) has the molecular formula C23H23N7O2S and a molecular weight of 461.55 g/mol. Its IUPAC name is 1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26144491
Molecular FormulaC23H23N7O2S
Molecular Weight461.55 g/mol
Exact Mass461.16
IUPAC Name1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nccc1C(=O)N1CCc2c(c(C(=O)NCc3nccs3)nn2Cc2ccccc2)C1
InChIInChI=1S/C23H23N7O2S/c1-28-19(7-9-26-28)23(32)29-11-8-18-17(15-29)21(22(31)25-13-20-24-10-12-33-20)27-30(18)14-16-5-3-2-4-6-16/h2-7,9-10,12H,8,11,13-15H2,1H3,(H,25,31)
InChIKeyMZFVPTHLEQHVPL-UHFFFAOYSA-N
XLogP2.25
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26144491) is 1-benzyl-5-(2-methylpyrazole-3-carbonyl)-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-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nccc1C(=O)N1CCc2c(c(C(=O)NCc3nccs3)nn2Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is MZFVPTHLEQHVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2S/c1-28-19(7-9-26-28)23(32)29-11-8-18-17(15-29)21(22(31)25-13-20-24-10-12-33-20)27-30(18)14-16-5-3-2-4-6-16/h2-7,9-10,12H,8,11,13-15H2,1H3,(H,25,31).
What are the key properties of 1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-methylpyrazole-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26144491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).