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

C26H31FN4O — CID 46880389

IUPAC2-[1-ethyl-4-[2-(3-fluorophenyl)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)c1
InChIInChI=1S/C26H31FN4O/c1-4-31-23-15-16-30(25(26(32)28-3)20-10-6-5-7-11-20)22(24(23)18(2)29-31)14-13-19-9-8-12-21(27)17-19/h5-12,17,22,25H,4,13-16H2,1-3H3,(H,28,32)
InChIKeyPPYIFDYCZNADPT-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.37
Rot. Bonds7

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

2-[1-ethyl-4-[2-(3-fluorophenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 46880389) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-[1-ethyl-4-[2-(3-fluorophenyl)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-(3-fluorophenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
PubChem CID46880389
Molecular FormulaC26H31FN4O
Molecular Weight434.56 g/mol
Exact Mass434.25
IUPAC Name2-[1-ethyl-4-[2-(3-fluorophenyl)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)c1
InChIInChI=1S/C26H31FN4O/c1-4-31-23-15-16-30(25(26(32)28-3)20-10-6-5-7-11-20)22(24(23)18(2)29-31)14-13-19-9-8-12-21(27)17-19/h5-12,17,22,25H,4,13-16H2,1-3H3,(H,28,32)
InChIKeyPPYIFDYCZNADPT-UHFFFAOYSA-N
XLogP4.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.37
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-(3-fluorophenyl)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-(3-fluorophenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 46880389) is 2-[1-ethyl-4-[2-(3-fluorophenyl)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-(3-fluorophenyl)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-(3-fluorophenyl)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)c1.
What is the InChIKey of 2-[1-ethyl-4-[2-(3-fluorophenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is PPYIFDYCZNADPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O/c1-4-31-23-15-16-30(25(26(32)28-3)20-10-6-5-7-11-20)22(24(23)18(2)29-31)14-13-19-9-8-12-21(27)17-19/h5-12,17,22,25H,4,13-16H2,1-3H3,(H,28,32).
What are the key properties of 2-[1-ethyl-4-[2-(3-fluorophenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
2-[1-ethyl-4-[2-(3-fluorophenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 434.56 g/mol, XLogP of 4.37, 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-(3-fluorophenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 46880389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).