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

C24H20ClFN6O — CID 167447203

IUPACN-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine
SMILESFc1c(Nc2nn(-c3cccc(Cl)n3)c3ccccc23)ccc2c1cnn2C1CCCCO1
InChIInChI=1S/C24H20ClFN6O/c25-20-8-5-9-21(29-20)31-18-7-2-1-6-15(18)24(30-31)28-17-11-12-19-16(23(17)26)14-27-32(19)22-10-3-4-13-33-22/h1-2,5-9,11-12,14,22H,3-4,10,13H2,(H,28,30)
InChIKeyQRCKLUHRDNOKND-UHFFFAOYSA-N
MW462.92 g/mol
LogP6.01
Rot. Bonds4

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

N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine (PubChem CID 167447203) has the molecular formula C24H20ClFN6O and a molecular weight of 462.92 g/mol. Its IUPAC name is N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine.

Molecular Properties

Compound NameN-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine
PubChem CID167447203
Molecular FormulaC24H20ClFN6O
Molecular Weight462.92 g/mol
Exact Mass462.14
IUPAC NameN-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine
SMILESFc1c(Nc2nn(-c3cccc(Cl)n3)c3ccccc23)ccc2c1cnn2C1CCCCO1
InChIInChI=1S/C24H20ClFN6O/c25-20-8-5-9-21(29-20)31-18-7-2-1-6-15(18)24(30-31)28-17-11-12-19-16(23(17)26)14-27-32(19)22-10-3-4-13-33-22/h1-2,5-9,11-12,14,22H,3-4,10,13H2,(H,28,30)
InChIKeyQRCKLUHRDNOKND-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 N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine?
The IUPAC name of N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine (CID 167447203) is N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine.
What is the SMILES notation for N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine?
The canonical SMILES for N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine is Fc1c(Nc2nn(-c3cccc(Cl)n3)c3ccccc23)ccc2c1cnn2C1CCCCO1.
What is the InChIKey of N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine?
The InChIKey is QRCKLUHRDNOKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O/c25-20-8-5-9-21(29-20)31-18-7-2-1-6-15(18)24(30-31)28-17-11-12-19-16(23(17)26)14-27-32(19)22-10-3-4-13-33-22/h1-2,5-9,11-12,14,22H,3-4,10,13H2,(H,28,30).
What are the key properties of N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine?
N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-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 N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine is sourced from PubChem (CID 167447203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).