6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C22H20ClN7O3 — CID 46940810

IUPAC6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)c1n[nH]c2c1CCN(C(=O)c1ccc3n[nH]nc3c1)C2
InChIInChI=1S/C22H20ClN7O3/c1-33-19-5-3-14(23)8-13(19)10-24-21(31)20-15-6-7-30(11-18(15)25-28-20)22(32)12-2-4-16-17(9-12)27-29-26-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,24,31)(H,25,28)(H,26,27,29)
InChIKeyZNENPNQOILXTKQ-UHFFFAOYSA-N
MW465.90 g/mol
LogP2.47
Rot. Bonds5

About 6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 46940810) has the molecular formula C22H20ClN7O3 and a molecular weight of 465.90 g/mol. Its IUPAC name is 6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID46940810
Molecular FormulaC22H20ClN7O3
Molecular Weight465.90 g/mol
Exact Mass465.13
IUPAC Name6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)c1n[nH]c2c1CCN(C(=O)c1ccc3n[nH]nc3c1)C2
InChIInChI=1S/C22H20ClN7O3/c1-33-19-5-3-14(23)8-13(19)10-24-21(31)20-15-6-7-30(11-18(15)25-28-20)22(32)12-2-4-16-17(9-12)27-29-26-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,24,31)(H,25,28)(H,26,27,29)
InChIKeyZNENPNQOILXTKQ-UHFFFAOYSA-N
XLogP2.47
TPSA128.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 46940810) is 6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(Cl)cc1CNC(=O)c1n[nH]c2c1CCN(C(=O)c1ccc3n[nH]nc3c1)C2.
What is the InChIKey of 6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is ZNENPNQOILXTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O3/c1-33-19-5-3-14(23)8-13(19)10-24-21(31)20-15-6-7-30(11-18(15)25-28-20)22(32)12-2-4-16-17(9-12)27-29-26-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,24,31)(H,25,28)(H,26,27,29).
What are the key properties of 6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 465.90 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-benzotriazole-5-carbonyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 46940810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).