[5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid

C24H22FN5O4 — CID 66767062

IUPAC[5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid
SMILESNc1ccc(Oc2cc3cnn(C4CCCCO4)c3cc2-c2ccc(NC(=O)O)nc2)c(F)c1
InChIInChI=1S/C24H22FN5O4/c25-18-10-16(26)5-6-20(18)34-21-9-15-13-28-30(23-3-1-2-8-33-23)19(15)11-17(21)14-4-7-22(27-12-14)29-24(31)32/h4-7,9-13,23H,1-3,8,26H2,(H,27,29)(H,31,32)
InChIKeyZPQJWBHHODWAAI-UHFFFAOYSA-N
MW463.47 g/mol
LogP5.40
Rot. Bonds5

About [5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid

[5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid (PubChem CID 66767062) has the molecular formula C24H22FN5O4 and a molecular weight of 463.47 g/mol. Its IUPAC name is [5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid
PubChem CID66767062
Molecular FormulaC24H22FN5O4
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC Name[5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid
SMILESNc1ccc(Oc2cc3cnn(C4CCCCO4)c3cc2-c2ccc(NC(=O)O)nc2)c(F)c1
InChIInChI=1S/C24H22FN5O4/c25-18-10-16(26)5-6-20(18)34-21-9-15-13-28-30(23-3-1-2-8-33-23)19(15)11-17(21)14-4-7-22(27-12-14)29-24(31)32/h4-7,9-13,23H,1-3,8,26H2,(H,27,29)(H,31,32)
InChIKeyZPQJWBHHODWAAI-UHFFFAOYSA-N
XLogP5.40
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.47
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of [5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid (CID 66767062) is [5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid is Nc1ccc(Oc2cc3cnn(C4CCCCO4)c3cc2-c2ccc(NC(=O)O)nc2)c(F)c1.
What is the InChIKey of [5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid?
The InChIKey is ZPQJWBHHODWAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4/c25-18-10-16(26)5-6-20(18)34-21-9-15-13-28-30(23-3-1-2-8-33-23)19(15)11-17(21)14-4-7-22(27-12-14)29-24(31)32/h4-7,9-13,23H,1-3,8,26H2,(H,27,29)(H,31,32).
What are the key properties of [5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid?
[5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid has a molecular weight of 463.47 g/mol, XLogP of 5.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(4-amino-2-fluorophenoxy)-1-(oxan-2-yl)indazol-6-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 66767062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).