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

C30H33N5O2 — CID 26227139

IUPAC5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cccc(CN2CCc3c(c(C(=O)NCCCc4ccccc4)nn3Cc3ccncc3)C2)c1
InChIInChI=1S/C30H33N5O2/c1-37-26-11-5-9-25(19-26)20-34-18-14-28-27(22-34)29(33-35(28)21-24-12-16-31-17-13-24)30(36)32-15-6-10-23-7-3-2-4-8-23/h2-5,7-9,11-13,16-17,19H,6,10,14-15,18,20-22H2,1H3,(H,32,36)
InChIKeyLDFQRPWHNZZINN-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.26
Rot. Bonds10

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

5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26227139) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26227139
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cccc(CN2CCc3c(c(C(=O)NCCCc4ccccc4)nn3Cc3ccncc3)C2)c1
InChIInChI=1S/C30H33N5O2/c1-37-26-11-5-9-25(19-26)20-34-18-14-28-27(22-34)29(33-35(28)21-24-12-16-31-17-13-24)30(36)32-15-6-10-23-7-3-2-4-8-23/h2-5,7-9,11-13,16-17,19H,6,10,14-15,18,20-22H2,1H3,(H,32,36)
InChIKeyLDFQRPWHNZZINN-UHFFFAOYSA-N
XLogP4.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26227139) is 5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1cccc(CN2CCc3c(c(C(=O)NCCCc4ccccc4)nn3Cc3ccncc3)C2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is LDFQRPWHNZZINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-37-26-11-5-9-25(19-26)20-34-18-14-28-27(22-34)29(33-35(28)21-24-12-16-31-17-13-24)30(36)32-15-6-10-23-7-3-2-4-8-23/h2-5,7-9,11-13,16-17,19H,6,10,14-15,18,20-22H2,1H3,(H,32,36).
What are the key properties of 5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26227139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).