1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C27H34N4O2 — CID 26234615

IUPAC1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(CCCc2ccccc2)C3)cc1
InChIInChI=1S/C27H34N4O2/c1-29(2)27(32)26-24-20-30(17-7-10-21-8-5-4-6-9-21)18-16-25(24)31(28-26)19-15-22-11-13-23(33-3)14-12-22/h4-6,8-9,11-14H,7,10,15-20H2,1-3H3
InChIKeyUUISWCIGKYMQQS-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.83
Rot. Bonds9

About 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26234615) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26234615
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(CCCc2ccccc2)C3)cc1
InChIInChI=1S/C27H34N4O2/c1-29(2)27(32)26-24-20-30(17-7-10-21-8-5-4-6-9-21)18-16-25(24)31(28-26)19-15-22-11-13-23(33-3)14-12-22/h4-6,8-9,11-14H,7,10,15-20H2,1-3H3
InChIKeyUUISWCIGKYMQQS-UHFFFAOYSA-N
XLogP3.83
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26234615) is 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(CCCc2ccccc2)C3)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UUISWCIGKYMQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-29(2)27(32)26-24-20-30(17-7-10-21-8-5-4-6-9-21)18-16-25(24)31(28-26)19-15-22-11-13-23(33-3)14-12-22/h4-6,8-9,11-14H,7,10,15-20H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26234615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).