1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine

C24H20ClFN6O — CID 167446906

IUPAC1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine
SMILESFc1cccc2c1c(Nc1ccc3c(cnn3C3CCCCO3)c1)nn2-c1cccc(Cl)n1
InChIInChI=1S/C24H20ClFN6O/c25-20-7-4-8-21(29-20)31-19-6-3-5-17(26)23(19)24(30-31)28-16-10-11-18-15(13-16)14-27-32(18)22-9-1-2-12-33-22/h3-8,10-11,13-14,22H,1-2,9,12H2,(H,28,30)
InChIKeyGBKVGPLRJNRLEW-UHFFFAOYSA-N
MW462.92 g/mol
LogP6.01
Rot. Bonds4

About 1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine

1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine (PubChem CID 167446906) has the molecular formula C24H20ClFN6O and a molecular weight of 462.92 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine
PubChem CID167446906
Molecular FormulaC24H20ClFN6O
Molecular Weight462.92 g/mol
Exact Mass462.14
IUPAC Name1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine
SMILESFc1cccc2c1c(Nc1ccc3c(cnn3C3CCCCO3)c1)nn2-c1cccc(Cl)n1
InChIInChI=1S/C24H20ClFN6O/c25-20-7-4-8-21(29-20)31-19-6-3-5-17(26)23(19)24(30-31)28-16-10-11-18-15(13-16)14-27-32(18)22-9-1-2-12-33-22/h3-8,10-11,13-14,22H,1-2,9,12H2,(H,28,30)
InChIKeyGBKVGPLRJNRLEW-UHFFFAOYSA-N
XLogP6.01
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.92
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine (CID 167446906) is 1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine is Fc1cccc2c1c(Nc1ccc3c(cnn3C3CCCCO3)c1)nn2-c1cccc(Cl)n1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine?
The InChIKey is GBKVGPLRJNRLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O/c25-20-7-4-8-21(29-20)31-19-6-3-5-17(26)23(19)24(30-31)28-16-10-11-18-15(13-16)14-27-32(18)22-9-1-2-12-33-22/h3-8,10-11,13-14,22H,1-2,9,12H2,(H,28,30).
What are the key properties of 1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine?
1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine has a molecular weight of 462.92 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine is sourced from PubChem (CID 167446906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).