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

C23H26F4N4O3 — CID 118561550

IUPAC2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CC1
InChIInChI=1S/C23H26F4N4O3/c24-17-3-1-16(2-4-17)12-31-19-13-30(10-7-18(19)22(28-31)23(25,26)27)20(32)14-29-8-5-15(6-9-29)11-21(33)34/h1-4,15H,5-14H2,(H,33,34)
InChIKeyMJRLMTPAHNMNTH-UHFFFAOYSA-N
MW482.48 g/mol
LogP3.16
Rot. Bonds6

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

2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid (PubChem CID 118561550) has the molecular formula C23H26F4N4O3 and a molecular weight of 482.48 g/mol. Its IUPAC name is 2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid
PubChem CID118561550
Molecular FormulaC23H26F4N4O3
Molecular Weight482.48 g/mol
Exact Mass482.19
IUPAC Name2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CC1
InChIInChI=1S/C23H26F4N4O3/c24-17-3-1-16(2-4-17)12-31-19-13-30(10-7-18(19)22(28-31)23(25,26)27)20(32)14-29-8-5-15(6-9-29)11-21(33)34/h1-4,15H,5-14H2,(H,33,34)
InChIKeyMJRLMTPAHNMNTH-UHFFFAOYSA-N
XLogP3.16
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid (CID 118561550) is 2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CC1.
What is the InChIKey of 2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid?
The InChIKey is MJRLMTPAHNMNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N4O3/c24-17-3-1-16(2-4-17)12-31-19-13-30(10-7-18(19)22(28-31)23(25,26)27)20(32)14-29-8-5-15(6-9-29)11-21(33)34/h1-4,15H,5-14H2,(H,33,34).
What are the key properties of 2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid?
2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid has a molecular weight of 482.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 118561550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).