N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide

C18H17FN4O — CID 86299832

IUPACN-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc2c(cnn2CC2CC2)c1
InChIInChI=1S/C18H17FN4O/c19-14-4-5-16(15(20)8-14)22-18(24)12-3-6-17-13(7-12)9-21-23(17)10-11-1-2-11/h3-9,11H,1-2,10,20H2,(H,22,24)
InChIKeyJITFWJGGVWQXHY-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.42
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide

N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide (PubChem CID 86299832) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide
PubChem CID86299832
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc2c(cnn2CC2CC2)c1
InChIInChI=1S/C18H17FN4O/c19-14-4-5-16(15(20)8-14)22-18(24)12-3-6-17-13(7-12)9-21-23(17)10-11-1-2-11/h3-9,11H,1-2,10,20H2,(H,22,24)
InChIKeyJITFWJGGVWQXHY-UHFFFAOYSA-N
XLogP3.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide (CID 86299832) is N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide is Nc1cc(F)ccc1NC(=O)c1ccc2c(cnn2CC2CC2)c1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide?
The InChIKey is JITFWJGGVWQXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-14-4-5-16(15(20)8-14)22-18(24)12-3-6-17-13(7-12)9-21-23(17)10-11-1-2-11/h3-9,11H,1-2,10,20H2,(H,22,24).
What are the key properties of N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide?
N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide is sourced from PubChem (CID 86299832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).