4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol

C27H28FN3OS — CID 57252684

IUPAC4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol
SMILESOC(CCCN1CCc2c(c(-c3cccs3)nn2Cc2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C27H28FN3OS/c28-22-12-10-21(11-13-22)25(32)8-4-15-30-16-14-24-23(19-30)27(26-9-5-17-33-26)29-31(24)18-20-6-2-1-3-7-20/h1-3,5-7,9-13,17,25,32H,4,8,14-16,18-19H2
InChIKeyTWZWDBGHQICJAO-UHFFFAOYSA-N
MW461.61 g/mol
LogP5.67
Rot. Bonds8

About 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol

4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol (PubChem CID 57252684) has the molecular formula C27H28FN3OS and a molecular weight of 461.61 g/mol. Its IUPAC name is 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol
PubChem CID57252684
Molecular FormulaC27H28FN3OS
Molecular Weight461.61 g/mol
Exact Mass461.19
IUPAC Name4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol
SMILESOC(CCCN1CCc2c(c(-c3cccs3)nn2Cc2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C27H28FN3OS/c28-22-12-10-21(11-13-22)25(32)8-4-15-30-16-14-24-23(19-30)27(26-9-5-17-33-26)29-31(24)18-20-6-2-1-3-7-20/h1-3,5-7,9-13,17,25,32H,4,8,14-16,18-19H2
InChIKeyTWZWDBGHQICJAO-UHFFFAOYSA-N
XLogP5.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol with MolForge

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CID 15604814
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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol (CID 57252684) is 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol is OC(CCCN1CCc2c(c(-c3cccs3)nn2Cc2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol?
The InChIKey is TWZWDBGHQICJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3OS/c28-22-12-10-21(11-13-22)25(32)8-4-15-30-16-14-24-23(19-30)27(26-9-5-17-33-26)29-31(24)18-20-6-2-1-3-7-20/h1-3,5-7,9-13,17,25,32H,4,8,14-16,18-19H2.
What are the key properties of 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol?
4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol has a molecular weight of 461.61 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 57252684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).