2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide

C27H34N4O — CID 25063585

IUPAC2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1ccc(C)cc1
InChIInChI=1S/C27H34N4O/c1-5-31-24-17-18-30(26(27(32)28-4)22-9-7-6-8-10-22)23(25(24)20(3)29-31)16-15-21-13-11-19(2)12-14-21/h6-14,23,26H,5,15-18H2,1-4H3,(H,28,32)
InChIKeyYVQBKJZIAAENQZ-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.54
Rot. Bonds7

About 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide

2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 25063585) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
PubChem CID25063585
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1ccc(C)cc1
InChIInChI=1S/C27H34N4O/c1-5-31-24-17-18-30(26(27(32)28-4)22-9-7-6-8-10-22)23(25(24)20(3)29-31)16-15-21-13-11-19(2)12-14-21/h6-14,23,26H,5,15-18H2,1-4H3,(H,28,32)
InChIKeyYVQBKJZIAAENQZ-UHFFFAOYSA-N
XLogP4.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 25063585) is 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is CCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1ccc(C)cc1.
What is the InChIKey of 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is YVQBKJZIAAENQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-5-31-24-17-18-30(26(27(32)28-4)22-9-7-6-8-10-22)23(25(24)20(3)29-31)16-15-21-13-11-19(2)12-14-21/h6-14,23,26H,5,15-18H2,1-4H3,(H,28,32).
What are the key properties of 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 430.60 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-3-methyl-4-[2-(4-methylphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 25063585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).