1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid

C23H28ClFN4O3 — CID 130214557

IUPAC1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)C(C)N1CCC(C(=O)O)CC1)C2
InChIInChI=1S/C23H28ClFN4O3/c1-14-19-7-10-28(22(30)15(2)27-8-5-16(6-9-27)23(31)32)13-21(19)29(26-14)12-17-3-4-18(24)11-20(17)25/h3-4,11,15-16H,5-10,12-13H2,1-2H3,(H,31,32)
InChIKeyYBEOXNJSJAOZTG-UHFFFAOYSA-N
MW462.95 g/mol
LogP3.10
Rot. Bonds5

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

1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid (PubChem CID 130214557) has the molecular formula C23H28ClFN4O3 and a molecular weight of 462.95 g/mol. Its IUPAC name is 1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
PubChem CID130214557
Molecular FormulaC23H28ClFN4O3
Molecular Weight462.95 g/mol
Exact Mass462.18
IUPAC Name1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)C(C)N1CCC(C(=O)O)CC1)C2
InChIInChI=1S/C23H28ClFN4O3/c1-14-19-7-10-28(22(30)15(2)27-8-5-16(6-9-27)23(31)32)13-21(19)29(26-14)12-17-3-4-18(24)11-20(17)25/h3-4,11,15-16H,5-10,12-13H2,1-2H3,(H,31,32)
InChIKeyYBEOXNJSJAOZTG-UHFFFAOYSA-N
XLogP3.10
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid (CID 130214557) is 1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid is Cc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)C(C)N1CCC(C(=O)O)CC1)C2.
What is the InChIKey of 1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is YBEOXNJSJAOZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN4O3/c1-14-19-7-10-28(22(30)15(2)27-8-5-16(6-9-27)23(31)32)13-21(19)29(26-14)12-17-3-4-18(24)11-20(17)25/h3-4,11,15-16H,5-10,12-13H2,1-2H3,(H,31,32).
What are the key properties of 1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 462.95 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 130214557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).