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

C22H26ClFN4O3 — CID 130214550

IUPAC1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)CN1CCC(C(=O)O)CC1)C2
InChIInChI=1S/C22H26ClFN4O3/c1-14-18-6-9-27(21(29)13-26-7-4-15(5-8-26)22(30)31)12-20(18)28(25-14)11-16-2-3-17(23)10-19(16)24/h2-3,10,15H,4-9,11-13H2,1H3,(H,30,31)
InChIKeyHXTWIIZOVPRSHC-UHFFFAOYSA-N
MW448.93 g/mol
LogP2.71
Rot. Bonds5

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

1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 130214550) has the molecular formula C22H26ClFN4O3 and a molecular weight of 448.93 g/mol. Its IUPAC name is 1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID130214550
Molecular FormulaC22H26ClFN4O3
Molecular Weight448.93 g/mol
Exact Mass448.17
IUPAC Name1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)CN1CCC(C(=O)O)CC1)C2
InChIInChI=1S/C22H26ClFN4O3/c1-14-18-6-9-27(21(29)13-26-7-4-15(5-8-26)22(30)31)12-20(18)28(25-14)11-16-2-3-17(23)10-19(16)24/h2-3,10,15H,4-9,11-13H2,1H3,(H,30,31)
InChIKeyHXTWIIZOVPRSHC-UHFFFAOYSA-N
XLogP2.71
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid (CID 130214550) is 1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid is Cc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)CN1CCC(C(=O)O)CC1)C2.
What is the InChIKey of 1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is HXTWIIZOVPRSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O3/c1-14-18-6-9-27(21(29)13-26-7-4-15(5-8-26)22(30)31)12-20(18)28(25-14)11-16-2-3-17(23)10-19(16)24/h2-3,10,15H,4-9,11-13H2,1H3,(H,30,31).
What are the key properties of 1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 448.93 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 130214550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).