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

C24H25FN4O2 — CID 155881922

IUPACN-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide
SMILESCn1nc(CCNC(=O)c2ccccc2)c2c1CCN(C(=O)Cc1ccc(F)cc1)C2
InChIInChI=1S/C24H25FN4O2/c1-28-22-12-14-29(23(30)15-17-7-9-19(25)10-8-17)16-20(22)21(27-28)11-13-26-24(31)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,26,31)
InChIKeyNDOPHNFYNXBCPI-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.66
Rot. Bonds6

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

N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide (PubChem CID 155881922) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide
PubChem CID155881922
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide
SMILESCn1nc(CCNC(=O)c2ccccc2)c2c1CCN(C(=O)Cc1ccc(F)cc1)C2
InChIInChI=1S/C24H25FN4O2/c1-28-22-12-14-29(23(30)15-17-7-9-19(25)10-8-17)16-20(22)21(27-28)11-13-26-24(31)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,26,31)
InChIKeyNDOPHNFYNXBCPI-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide?
The IUPAC name of N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide (CID 155881922) is N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide is Cn1nc(CCNC(=O)c2ccccc2)c2c1CCN(C(=O)Cc1ccc(F)cc1)C2.
What is the InChIKey of N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide?
The InChIKey is NDOPHNFYNXBCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-28-22-12-14-29(23(30)15-17-7-9-19(25)10-8-17)16-20(22)21(27-28)11-13-26-24(31)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,26,31).
What are the key properties of N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide?
N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(4-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]benzamide is sourced from PubChem (CID 155881922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).