[5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone

C23H31FN4O — CID 146641758

IUPAC[5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCN(CCc1ccc(F)cc1)C2
InChIInChI=1S/C23H31FN4O/c1-2-12-28-21-11-16-26(15-10-18-6-8-19(24)9-7-18)17-20(21)22(25-28)23(29)27-13-4-3-5-14-27/h6-9H,2-5,10-17H2,1H3
InChIKeySSZHZHBUTOYROQ-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.66
Rot. Bonds6

About [5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone

[5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone (PubChem CID 146641758) has the molecular formula C23H31FN4O and a molecular weight of 398.53 g/mol. Its IUPAC name is [5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone
PubChem CID146641758
Molecular FormulaC23H31FN4O
Molecular Weight398.53 g/mol
Exact Mass398.25
IUPAC Name[5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCN(CCc1ccc(F)cc1)C2
InChIInChI=1S/C23H31FN4O/c1-2-12-28-21-11-16-26(15-10-18-6-8-19(24)9-7-18)17-20(21)22(25-28)23(29)27-13-4-3-5-14-27/h6-9H,2-5,10-17H2,1H3
InChIKeySSZHZHBUTOYROQ-UHFFFAOYSA-N
XLogP3.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone (CID 146641758) is [5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone is CCCn1nc(C(=O)N2CCCCC2)c2c1CCN(CCc1ccc(F)cc1)C2.
What is the InChIKey of [5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is SSZHZHBUTOYROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O/c1-2-12-28-21-11-16-26(15-10-18-6-8-19(24)9-7-18)17-20(21)22(25-28)23(29)27-13-4-3-5-14-27/h6-9H,2-5,10-17H2,1H3.
What are the key properties of [5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone?
[5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 398.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 146641758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).