7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole

C33H36FN5O — CID 146521866

IUPAC7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
SMILESFc1ccc(-n2c(C3CCOCC3)c(CCCc3cnn(CC45CCC4CC5)c3)c3cc4[nH]ncc4cc32)cc1
InChIInChI=1S/C33H36FN5O/c34-26-4-6-27(7-5-26)39-31-16-24-19-35-37-30(24)17-29(31)28(32(39)23-10-14-40-15-11-23)3-1-2-22-18-36-38(20-22)21-33-12-8-25(33)9-13-33/h4-7,16-20,23,25H,1-3,8-15,21H2,(H,35,37)
InChIKeyHBCNHBYKXWAPRW-UHFFFAOYSA-N
MW537.68 g/mol
LogP7.10
Rot. Bonds8

About 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole

7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole (PubChem CID 146521866) has the molecular formula C33H36FN5O and a molecular weight of 537.68 g/mol. Its IUPAC name is 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole.

Molecular Properties

Compound Name7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
PubChem CID146521866
Molecular FormulaC33H36FN5O
Molecular Weight537.68 g/mol
Exact Mass537.29
IUPAC Name7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
SMILESFc1ccc(-n2c(C3CCOCC3)c(CCCc3cnn(CC45CCC4CC5)c3)c3cc4[nH]ncc4cc32)cc1
InChIInChI=1S/C33H36FN5O/c34-26-4-6-27(7-5-26)39-31-16-24-19-35-37-30(24)17-29(31)28(32(39)23-10-14-40-15-11-23)3-1-2-22-18-36-38(20-22)21-33-12-8-25(33)9-13-33/h4-7,16-20,23,25H,1-3,8-15,21H2,(H,35,37)
InChIKeyHBCNHBYKXWAPRW-UHFFFAOYSA-N
XLogP7.10
TPSA60.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.68
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
The IUPAC name of 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole (CID 146521866) is 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole.
What is the SMILES notation for 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
The canonical SMILES for 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole is Fc1ccc(-n2c(C3CCOCC3)c(CCCc3cnn(CC45CCC4CC5)c3)c3cc4[nH]ncc4cc32)cc1.
What is the InChIKey of 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
The InChIKey is HBCNHBYKXWAPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN5O/c34-26-4-6-27(7-5-26)39-31-16-24-19-35-37-30(24)17-29(31)28(32(39)23-10-14-40-15-11-23)3-1-2-22-18-36-38(20-22)21-33-12-8-25(33)9-13-33/h4-7,16-20,23,25H,1-3,8-15,21H2,(H,35,37).
What are the key properties of 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole has a molecular weight of 537.68 g/mol, XLogP of 7.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-(1-bicyclo[2.2.0]hexanylmethyl)pyrazol-4-yl]propyl]-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole is sourced from PubChem (CID 146521866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).