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

C23H29FN4O3 — CID 130214565

IUPAC3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CNC1CC(C(=O)O)C1(C)C)C2
InChIInChI=1S/C23H29FN4O3/c1-14-17-8-9-27(21(29)11-25-20-10-18(22(30)31)23(20,2)3)13-19(17)28(26-14)12-15-4-6-16(24)7-5-15/h4-7,18,20,25H,8-13H2,1-3H3,(H,30,31)
InChIKeyYAKPXNVGSIGFJX-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.35
Rot. Bonds6

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

3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 130214565) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID130214565
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Name3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CNC1CC(C(=O)O)C1(C)C)C2
InChIInChI=1S/C23H29FN4O3/c1-14-17-8-9-27(21(29)11-25-20-10-18(22(30)31)23(20,2)3)13-19(17)28(26-14)12-15-4-6-16(24)7-5-15/h4-7,18,20,25H,8-13H2,1-3H3,(H,30,31)
InChIKeyYAKPXNVGSIGFJX-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid (CID 130214565) is 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CNC1CC(C(=O)O)C1(C)C)C2.
What is the InChIKey of 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is YAKPXNVGSIGFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-14-17-8-9-27(21(29)11-25-20-10-18(22(30)31)23(20,2)3)13-19(17)28(26-14)12-15-4-6-16(24)7-5-15/h4-7,18,20,25H,8-13H2,1-3H3,(H,30,31).
What are the key properties of 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 428.51 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 130214565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).