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

C27H33FN4O — CID 25063625

IUPAC2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)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(C)cc1F
InChIInChI=1S/C27H33FN4O/c1-5-32-24-15-16-31(26(27(33)29-4)21-9-7-6-8-10-21)23(25(24)19(3)30-32)14-13-20-12-11-18(2)17-22(20)28/h6-12,17,23,26H,5,13-16H2,1-4H3,(H,29,33)
InChIKeyYUTWHSGDIBWDOZ-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.68
Rot. Bonds7

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

2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 25063625) has the molecular formula C27H33FN4O and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
PubChem CID25063625
Molecular FormulaC27H33FN4O
Molecular Weight448.59 g/mol
Exact Mass448.26
IUPAC Name2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)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(C)cc1F
InChIInChI=1S/C27H33FN4O/c1-5-32-24-15-16-31(26(27(33)29-4)21-9-7-6-8-10-21)23(25(24)19(3)30-32)14-13-20-12-11-18(2)17-22(20)28/h6-12,17,23,26H,5,13-16H2,1-4H3,(H,29,33)
InChIKeyYUTWHSGDIBWDOZ-UHFFFAOYSA-N
XLogP4.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 25063625) is 2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)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-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)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(C)cc1F.
What is the InChIKey of 2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is YUTWHSGDIBWDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O/c1-5-32-24-15-16-31(26(27(33)29-4)21-9-7-6-8-10-21)23(25(24)19(3)30-32)14-13-20-12-11-18(2)17-22(20)28/h6-12,17,23,26H,5,13-16H2,1-4H3,(H,29,33).
What are the key properties of 2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 448.59 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-4-[2-(2-fluoro-4-methylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 25063625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).