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

C26H30F2N4O — CID 25063626

IUPAC2-[4-[2-(2,3-difluorophenyl)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)C2CCc1cccc(F)c1F
InChIInChI=1S/C26H30F2N4O/c1-4-32-22-15-16-31(25(26(33)29-3)19-9-6-5-7-10-19)21(23(22)17(2)30-32)14-13-18-11-8-12-20(27)24(18)28/h5-12,21,25H,4,13-16H2,1-3H3,(H,29,33)
InChIKeySLYBXYJIMJVGNQ-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.51
Rot. Bonds7

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

2-[4-[2-(2,3-difluorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 25063626) has the molecular formula C26H30F2N4O and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-[4-[2-(2,3-difluorophenyl)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-(2,3-difluorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
PubChem CID25063626
Molecular FormulaC26H30F2N4O
Molecular Weight452.55 g/mol
Exact Mass452.24
IUPAC Name2-[4-[2-(2,3-difluorophenyl)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)C2CCc1cccc(F)c1F
InChIInChI=1S/C26H30F2N4O/c1-4-32-22-15-16-31(25(26(33)29-3)19-9-6-5-7-10-19)21(23(22)17(2)30-32)14-13-18-11-8-12-20(27)24(18)28/h5-12,21,25H,4,13-16H2,1-3H3,(H,29,33)
InChIKeySLYBXYJIMJVGNQ-UHFFFAOYSA-N
XLogP4.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3-difluorophenyl)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-(2,3-difluorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 25063626) is 2-[4-[2-(2,3-difluorophenyl)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-(2,3-difluorophenyl)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-(2,3-difluorophenyl)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)C2CCc1cccc(F)c1F.
What is the InChIKey of 2-[4-[2-(2,3-difluorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is SLYBXYJIMJVGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O/c1-4-32-22-15-16-31(25(26(33)29-3)19-9-6-5-7-10-19)21(23(22)17(2)30-32)14-13-18-11-8-12-20(27)24(18)28/h5-12,21,25H,4,13-16H2,1-3H3,(H,29,33).
What are the key properties of 2-[4-[2-(2,3-difluorophenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
2-[4-[2-(2,3-difluorophenyl)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 452.55 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3-difluorophenyl)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 25063626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).