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

C24H25N5O — CID 26219647

IUPACN-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C24H25N5O/c1-28-22-11-12-29(15-18-14-25-21-10-6-5-9-19(18)21)16-20(22)23(27-28)24(30)26-13-17-7-3-2-4-8-17/h2-10,14,25H,11-13,15-16H2,1H3,(H,26,30)
InChIKeyAYVLTZUSBGRVBA-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.39
Rot. Bonds5

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

N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26219647) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26219647
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C24H25N5O/c1-28-22-11-12-29(15-18-14-25-21-10-6-5-9-19(18)21)16-20(22)23(27-28)24(30)26-13-17-7-3-2-4-8-17/h2-10,14,25H,11-13,15-16H2,1H3,(H,26,30)
InChIKeyAYVLTZUSBGRVBA-UHFFFAOYSA-N
XLogP3.39
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26219647) is N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1c[nH]c3ccccc13)C2.
What is the InChIKey of N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is AYVLTZUSBGRVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-28-22-11-12-29(15-18-14-25-21-10-6-5-9-19(18)21)16-20(22)23(27-28)24(30)26-13-17-7-3-2-4-8-17/h2-10,14,25H,11-13,15-16H2,1H3,(H,26,30).
What are the key properties of N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(1H-indol-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26219647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).