2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid

C24H30FN3O3 — CID 130214441

IUPAC2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(CC(=O)O)CC1)C2
InChIInChI=1S/C24H30FN3O3/c1-16-21-10-11-27(23(29)12-17-2-4-18(5-3-17)13-24(30)31)15-22(21)28(26-16)14-19-6-8-20(25)9-7-19/h6-9,17-18H,2-5,10-15H2,1H3,(H,30,31)
InChIKeyYAZBVOKRXZLBPH-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.93
Rot. Bonds6

About 2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid

2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 130214441) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID130214441
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(CC(=O)O)CC1)C2
InChIInChI=1S/C24H30FN3O3/c1-16-21-10-11-27(23(29)12-17-2-4-18(5-3-17)13-24(30)31)15-22(21)28(26-16)14-19-6-8-20(25)9-7-19/h6-9,17-18H,2-5,10-15H2,1H3,(H,30,31)
InChIKeyYAZBVOKRXZLBPH-UHFFFAOYSA-N
XLogP3.93
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid (CID 130214441) is 2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(CC(=O)O)CC1)C2.
What is the InChIKey of 2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is YAZBVOKRXZLBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-16-21-10-11-27(23(29)12-17-2-4-18(5-3-17)13-24(30)31)15-22(21)28(26-16)14-19-6-8-20(25)9-7-19/h6-9,17-18H,2-5,10-15H2,1H3,(H,30,31).
What are the key properties of 2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid?
2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 427.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 130214441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).