N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C20H19ClN4O2S — CID 53066482

IUPACN-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C20H19ClN4O2S/c1-24-16-8-9-25(20(27)17-3-2-10-28-17)12-15(16)18(23-24)19(26)22-11-13-4-6-14(21)7-5-13/h2-7,10H,8-9,11-12H2,1H3,(H,22,26)
InChIKeyNPIOAYBDEGGESR-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.26
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066482) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066482
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C20H19ClN4O2S/c1-24-16-8-9-25(20(27)17-3-2-10-28-17)12-15(16)18(23-24)19(26)22-11-13-4-6-14(21)7-5-13/h2-7,10H,8-9,11-12H2,1H3,(H,22,26)
InChIKeyNPIOAYBDEGGESR-UHFFFAOYSA-N
XLogP3.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.26
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]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066482) is N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1CCN(C(=O)c1cccs1)C2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NPIOAYBDEGGESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-24-16-8-9-25(20(27)17-3-2-10-28-17)12-15(16)18(23-24)19(26)22-11-13-4-6-14(21)7-5-13/h2-7,10H,8-9,11-12H2,1H3,(H,22,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 414.92 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).