1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine

C22H17ClFN5 — CID 91306946

IUPAC1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine
SMILESFc1cccc(Cn2ncc3cc(NNc4ccc5[nH]cc(Cl)c5c4)ccc32)c1
InChIInChI=1S/C22H17ClFN5/c23-20-12-25-21-6-4-18(10-19(20)21)28-27-17-5-7-22-15(9-17)11-26-29(22)13-14-2-1-3-16(24)8-14/h1-12,25,27-28H,13H2
InChIKeyUNXNUXVREKLREP-UHFFFAOYSA-N
MW405.86 g/mol
LogP5.80
Rot. Bonds5

About 1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine

1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine (PubChem CID 91306946) has the molecular formula C22H17ClFN5 and a molecular weight of 405.86 g/mol. Its IUPAC name is 1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine.

Molecular Properties

Compound Name1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine
PubChem CID91306946
Molecular FormulaC22H17ClFN5
Molecular Weight405.86 g/mol
Exact Mass405.12
IUPAC Name1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine
SMILESFc1cccc(Cn2ncc3cc(NNc4ccc5[nH]cc(Cl)c5c4)ccc32)c1
InChIInChI=1S/C22H17ClFN5/c23-20-12-25-21-6-4-18(10-19(20)21)28-27-17-5-7-22-15(9-17)11-26-29(22)13-14-2-1-3-16(24)8-14/h1-12,25,27-28H,13H2
InChIKeyUNXNUXVREKLREP-UHFFFAOYSA-N
XLogP5.80
TPSA57.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.86
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine?
The IUPAC name of 1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine (CID 91306946) is 1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine.
What is the SMILES notation for 1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine?
The canonical SMILES for 1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine is Fc1cccc(Cn2ncc3cc(NNc4ccc5[nH]cc(Cl)c5c4)ccc32)c1.
What is the InChIKey of 1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine?
The InChIKey is UNXNUXVREKLREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5/c23-20-12-25-21-6-4-18(10-19(20)21)28-27-17-5-7-22-15(9-17)11-26-29(22)13-14-2-1-3-16(24)8-14/h1-12,25,27-28H,13H2.
What are the key properties of 1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine?
1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine has a molecular weight of 405.86 g/mol, XLogP of 5.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1H-indol-5-yl)-2-[1-[(3-fluorophenyl)methyl]indazol-5-yl]hydrazine is sourced from PubChem (CID 91306946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).