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

C23H29FN4O3 — CID 130214582

IUPAC4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CNC1CCC(C(=O)O)CC1)C2
InChIInChI=1S/C23H29FN4O3/c1-15-20-10-11-27(22(29)12-25-19-8-4-17(5-9-19)23(30)31)14-21(20)28(26-15)13-16-2-6-18(24)7-3-16/h2-3,6-7,17,19,25H,4-5,8-14H2,1H3,(H,30,31)
InChIKeyUXANHAYLCWYZSY-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.50
Rot. Bonds6

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

4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 130214582) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID130214582
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Name4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CNC1CCC(C(=O)O)CC1)C2
InChIInChI=1S/C23H29FN4O3/c1-15-20-10-11-27(22(29)12-25-19-8-4-17(5-9-19)23(30)31)14-21(20)28(26-15)13-16-2-6-18(24)7-3-16/h2-3,6-7,17,19,25H,4-5,8-14H2,1H3,(H,30,31)
InChIKeyUXANHAYLCWYZSY-UHFFFAOYSA-N
XLogP2.50
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 130214582) is 4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CNC1CCC(C(=O)O)CC1)C2.
What is the InChIKey of 4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is UXANHAYLCWYZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-15-20-10-11-27(22(29)12-25-19-8-4-17(5-9-19)23(30)31)14-21(20)28(26-15)13-16-2-6-18(24)7-3-16/h2-3,6-7,17,19,25H,4-5,8-14H2,1H3,(H,30,31).
What are the key properties of 4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 428.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 130214582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).