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

C24H31F3N4O — CID 146641256

IUPACpiperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCN(CCc1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C24H31F3N4O/c1-2-11-31-21-10-15-29(14-9-18-7-6-8-19(16-18)24(25,26)27)17-20(21)22(28-31)23(32)30-12-4-3-5-13-30/h6-8,16H,2-5,9-15,17H2,1H3
InChIKeyDESXATNWSLYJRA-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.54
Rot. Bonds6

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

piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (PubChem CID 146641256) has the molecular formula C24H31F3N4O and a molecular weight of 448.53 g/mol. Its IUPAC name is piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
PubChem CID146641256
Molecular FormulaC24H31F3N4O
Molecular Weight448.53 g/mol
Exact Mass448.24
IUPAC Namepiperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCN(CCc1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C24H31F3N4O/c1-2-11-31-21-10-15-29(14-9-18-7-6-8-19(16-18)24(25,26)27)17-20(21)22(28-31)23(32)30-12-4-3-5-13-30/h6-8,16H,2-5,9-15,17H2,1H3
InChIKeyDESXATNWSLYJRA-UHFFFAOYSA-N
XLogP4.54
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (CID 146641256) is piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is CCCn1nc(C(=O)N2CCCCC2)c2c1CCN(CCc1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The InChIKey is DESXATNWSLYJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O/c1-2-11-31-21-10-15-29(14-9-18-7-6-8-19(16-18)24(25,26)27)17-20(21)22(28-31)23(32)30-12-4-3-5-13-30/h6-8,16H,2-5,9-15,17H2,1H3.
What are the key properties of piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone has a molecular weight of 448.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-propyl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 146641256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).