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

C26H31ClN4O — CID 25063628

IUPAC2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1ccc(Cl)cc1
InChIInChI=1S/C26H31ClN4O/c1-4-31-23-16-17-30(25(26(32)28-3)20-8-6-5-7-9-20)22(24(23)18(2)29-31)15-12-19-10-13-21(27)14-11-19/h5-11,13-14,22,25H,4,12,15-17H2,1-3H3,(H,28,32)
InChIKeyULALCBUGNVGAOF-UHFFFAOYSA-N
MW451.01 g/mol
LogP4.88
Rot. Bonds7

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

2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 25063628) has the molecular formula C26H31ClN4O and a molecular weight of 451.01 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
PubChem CID25063628
Molecular FormulaC26H31ClN4O
Molecular Weight451.01 g/mol
Exact Mass450.22
IUPAC Name2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1ccc(Cl)cc1
InChIInChI=1S/C26H31ClN4O/c1-4-31-23-16-17-30(25(26(32)28-3)20-8-6-5-7-9-20)22(24(23)18(2)29-31)15-12-19-10-13-21(27)14-11-19/h5-11,13-14,22,25H,4,12,15-17H2,1-3H3,(H,28,32)
InChIKeyULALCBUGNVGAOF-UHFFFAOYSA-N
XLogP4.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.01
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 25063628) is 2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-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(Cl)cc1.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is ULALCBUGNVGAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O/c1-4-31-23-16-17-30(25(26(32)28-3)20-8-6-5-7-9-20)22(24(23)18(2)29-31)15-12-19-10-13-21(27)14-11-19/h5-11,13-14,22,25H,4,12,15-17H2,1-3H3,(H,28,32).
What are the key properties of 2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 451.01 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 25063628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).