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

C25H25N7O2S — CID 26145436

IUPAC1-benzyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cc(C(=O)N2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)nc(C)n1
InChIInChI=1S/C25H25N7O2S/c1-16-12-20(29-17(2)28-16)25(34)31-10-8-21-19(15-31)23(24(33)27-13-22-26-9-11-35-22)30-32(21)14-18-6-4-3-5-7-18/h3-7,9,11-12H,8,10,13-15H2,1-2H3,(H,27,33)
InChIKeyDORAFCUDMVDZTH-UHFFFAOYSA-N
MW487.59 g/mol
LogP2.92
Rot. Bonds6

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

1-benzyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26145436) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is 1-benzyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26145436
Molecular FormulaC25H25N7O2S
Molecular Weight487.59 g/mol
Exact Mass487.18
IUPAC Name1-benzyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cc(C(=O)N2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)nc(C)n1
InChIInChI=1S/C25H25N7O2S/c1-16-12-20(29-17(2)28-16)25(34)31-10-8-21-19(15-31)23(24(33)27-13-22-26-9-11-35-22)30-32(21)14-18-6-4-3-5-7-18/h3-7,9,11-12H,8,10,13-15H2,1-2H3,(H,27,33)
InChIKeyDORAFCUDMVDZTH-UHFFFAOYSA-N
XLogP2.92
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2,6-dimethylpyrimidine-4-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-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26145436) is 1-benzyl-5-(2,6-dimethylpyrimidine-4-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-(2,6-dimethylpyrimidine-4-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-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cc(C(=O)N2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)nc(C)n1.
What is the InChIKey of 1-benzyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is DORAFCUDMVDZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2S/c1-16-12-20(29-17(2)28-16)25(34)31-10-8-21-19(15-31)23(24(33)27-13-22-26-9-11-35-22)30-32(21)14-18-6-4-3-5-7-18/h3-7,9,11-12H,8,10,13-15H2,1-2H3,(H,27,33).
What are the key properties of 1-benzyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-benzyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 487.59 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26145436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).