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

C26H26N4O — CID 26229245

IUPACN-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1cccc3ccccc13)C2
InChIInChI=1S/C26H26N4O/c1-29-24-14-15-30(17-21-12-7-11-20-10-5-6-13-22(20)21)18-23(24)25(28-29)26(31)27-16-19-8-3-2-4-9-19/h2-13H,14-18H2,1H3,(H,27,31)
InChIKeyUDDSMMVZUXOROG-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.06
Rot. Bonds5

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

N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26229245) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26229245
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1cccc3ccccc13)C2
InChIInChI=1S/C26H26N4O/c1-29-24-14-15-30(17-21-12-7-11-20-10-5-6-13-22(20)21)18-23(24)25(28-29)26(31)27-16-19-8-3-2-4-9-19/h2-13H,14-18H2,1H3,(H,27,31)
InChIKeyUDDSMMVZUXOROG-UHFFFAOYSA-N
XLogP4.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26229245) is N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1cccc3ccccc13)C2.
What is the InChIKey of N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UDDSMMVZUXOROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-29-24-14-15-30(17-21-12-7-11-20-10-5-6-13-22(20)21)18-23(24)25(28-29)26(31)27-16-19-8-3-2-4-9-19/h2-13H,14-18H2,1H3,(H,27,31).
What are the key properties of N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26229245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).