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

C27H32F2N4O — CID 25063583

IUPAC2-[4-[2-(2,3-difluoro-4-methylphenyl)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(C)c(F)c1F
InChIInChI=1S/C27H32F2N4O/c1-5-33-22-15-16-32(26(27(34)30-4)20-9-7-6-8-10-20)21(23(22)18(3)31-33)14-13-19-12-11-17(2)24(28)25(19)29/h6-12,21,26H,5,13-16H2,1-4H3,(H,30,34)
InChIKeyMCIWLARZPHNOEW-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.82
Rot. Bonds7

About 2-[4-[2-(2,3-difluoro-4-methylphenyl)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-difluoro-4-methylphenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 25063583) has the molecular formula C27H32F2N4O and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[4-[2-(2,3-difluoro-4-methylphenyl)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-difluoro-4-methylphenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
PubChem CID25063583
Molecular FormulaC27H32F2N4O
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Name2-[4-[2-(2,3-difluoro-4-methylphenyl)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(C)c(F)c1F
InChIInChI=1S/C27H32F2N4O/c1-5-33-22-15-16-32(26(27(34)30-4)20-9-7-6-8-10-20)21(23(22)18(3)31-33)14-13-19-12-11-17(2)24(28)25(19)29/h6-12,21,26H,5,13-16H2,1-4H3,(H,30,34)
InChIKeyMCIWLARZPHNOEW-UHFFFAOYSA-N
XLogP4.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.82
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-difluoro-4-methylphenyl)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-difluoro-4-methylphenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 25063583) is 2-[4-[2-(2,3-difluoro-4-methylphenyl)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-difluoro-4-methylphenyl)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-difluoro-4-methylphenyl)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(C)c(F)c1F.
What is the InChIKey of 2-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is MCIWLARZPHNOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4O/c1-5-33-22-15-16-32(26(27(34)30-4)20-9-7-6-8-10-20)21(23(22)18(3)31-33)14-13-19-12-11-17(2)24(28)25(19)29/h6-12,21,26H,5,13-16H2,1-4H3,(H,30,34).
What are the key properties of 2-[4-[2-(2,3-difluoro-4-methylphenyl)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-difluoro-4-methylphenyl)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 466.58 g/mol, XLogP of 4.82, 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-difluoro-4-methylphenyl)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 25063583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).