[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride

C19H21ClF4N4O — CID 118561574

IUPAC[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C19H20F4N4O.ClH/c20-14-3-1-12(2-4-14)10-27-16-11-26(18(28)13-5-7-24-9-13)8-6-15(16)17(25-27)19(21,22)23;/h1-4,13,24H,5-11H2;1H
InChIKeyIQKCWCXJVRKNTB-UHFFFAOYSA-N
MW432.85 g/mol
LogP3.01
Rot. Bonds3

About [1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride

[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 118561574) has the molecular formula C19H21ClF4N4O and a molecular weight of 432.85 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID118561574
Molecular FormulaC19H21ClF4N4O
Molecular Weight432.85 g/mol
Exact Mass432.13
IUPAC Name[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C19H20F4N4O.ClH/c20-14-3-1-12(2-4-14)10-27-16-11-26(18(28)13-5-7-24-9-13)8-6-15(16)17(25-27)19(21,22)23;/h1-4,13,24H,5-11H2;1H
InChIKeyIQKCWCXJVRKNTB-UHFFFAOYSA-N
XLogP3.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.85
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride (CID 118561574) is [1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride is Cl.O=C(C1CCNC1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is IQKCWCXJVRKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O.ClH/c20-14-3-1-12(2-4-14)10-27-16-11-26(18(28)13-5-7-24-9-13)8-6-15(16)17(25-27)19(21,22)23;/h1-4,13,24H,5-11H2;1H.
What are the key properties of [1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 432.85 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 118561574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).