N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H23ClN4O3 — CID 53066476

IUPACN-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccc(Cl)cc4)nn3C)C2)c1
InChIInChI=1S/C23H23ClN4O3/c1-27-20-10-11-28(23(30)16-4-3-5-18(12-16)31-2)14-19(20)21(26-27)22(29)25-13-15-6-8-17(24)9-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,25,29)
InChIKeyOVUUHXACXGJKPF-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.21
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066476) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066476
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccc(Cl)cc4)nn3C)C2)c1
InChIInChI=1S/C23H23ClN4O3/c1-27-20-10-11-28(23(30)16-4-3-5-18(12-16)31-2)14-19(20)21(26-27)22(29)25-13-15-6-8-17(24)9-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,25,29)
InChIKeyOVUUHXACXGJKPF-UHFFFAOYSA-N
XLogP3.21
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066476) is N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccc(Cl)cc4)nn3C)C2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is OVUUHXACXGJKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-27-20-10-11-28(23(30)16-4-3-5-18(12-16)31-2)14-19(20)21(26-27)22(29)25-13-15-6-8-17(24)9-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(3-methoxybenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).