1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid

C23H26FN5O2 — CID 56656094

IUPAC1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(N3CCC(F)CC3)c3cc(C4CCCCC4)ccc3n2)c1
InChIInChI=1S/C23H26FN5O2/c24-18-8-10-28(11-9-18)21-19-12-16(15-4-2-1-3-5-15)6-7-20(19)26-23(27-21)29-14-17(13-25-29)22(30)31/h6-7,12-15,18H,1-5,8-11H2,(H,30,31)
InChIKeyHHPHETPBBAFFHL-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.50
Rot. Bonds4

About 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid

1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid (PubChem CID 56656094) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid
PubChem CID56656094
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(N3CCC(F)CC3)c3cc(C4CCCCC4)ccc3n2)c1
InChIInChI=1S/C23H26FN5O2/c24-18-8-10-28(11-9-18)21-19-12-16(15-4-2-1-3-5-15)6-7-20(19)26-23(27-21)29-14-17(13-25-29)22(30)31/h6-7,12-15,18H,1-5,8-11H2,(H,30,31)
InChIKeyHHPHETPBBAFFHL-UHFFFAOYSA-N
XLogP4.50
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid with MolForge

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Related Compounds

7-Cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958132
US10550102, Example 28
CID 141657036
3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-indazol-2-ylpyrimidin-2-yl]amino]propanoic acid
CID 127036632
3-[[4-[4-(4-Fluorophenyl)piperazin-1-yl]-6-indazol-2-ylpyrimidin-2-yl]amino]propanoic acid
CID 127037028
1-(4-Fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 162667653
1-(4-(Diethylamino)-6-(piperidin-1-yl)quinazolin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 56655484
US10246442, Example 96
CID 56655627
US10246442, Example 22
CID 56656021
US10246442, Example 25
CID 56656090
US10246442, Example 26
CID 56656091
US10246442, Example 27
CID 56656092
US10246442, Example 28
CID 56656093

Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid (CID 56656094) is 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2nc(N3CCC(F)CC3)c3cc(C4CCCCC4)ccc3n2)c1.
What is the InChIKey of 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is HHPHETPBBAFFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-18-8-10-28(11-9-18)21-19-12-16(15-4-2-1-3-5-15)6-7-20(19)26-23(27-21)29-14-17(13-25-29)22(30)31/h6-7,12-15,18H,1-5,8-11H2,(H,30,31).
What are the key properties of 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid?
1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 423.49 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclohexyl-4-(4-fluoropiperidin-1-yl)quinazolin-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 56656094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).