N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide

C21H18FN5O — CID 135242542

IUPACN-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(cnn3Cc3cncc(F)c3)c2)c(N)c1
InChIInChI=1S/C21H18FN5O/c1-13-2-4-19(18(23)6-13)26-21(28)15-3-5-20-16(8-15)10-25-27(20)12-14-7-17(22)11-24-9-14/h2-11H,12,23H2,1H3,(H,26,28)
InChIKeyHICTXCLENMLYTG-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.76
Rot. Bonds4

About N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide

N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide (PubChem CID 135242542) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide
PubChem CID135242542
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC NameN-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(cnn3Cc3cncc(F)c3)c2)c(N)c1
InChIInChI=1S/C21H18FN5O/c1-13-2-4-19(18(23)6-13)26-21(28)15-3-5-20-16(8-15)10-25-27(20)12-14-7-17(22)11-24-9-14/h2-11H,12,23H2,1H3,(H,26,28)
InChIKeyHICTXCLENMLYTG-UHFFFAOYSA-N
XLogP3.76
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide (CID 135242542) is N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(cnn3Cc3cncc(F)c3)c2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide?
The InChIKey is HICTXCLENMLYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13-2-4-19(18(23)6-13)26-21(28)15-3-5-20-16(8-15)10-25-27(20)12-14-7-17(22)11-24-9-14/h2-11H,12,23H2,1H3,(H,26,28).
What are the key properties of N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide?
N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide is sourced from PubChem (CID 135242542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).