3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide

C20H18FN5O — CID 20789049

IUPAC3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide
SMILESCn1cncc1CCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C20H18FN5O/c1-26-12-22-11-16(26)8-9-23-20(27)14-4-7-18-17(10-14)19(25-24-18)13-2-5-15(21)6-3-13/h2-7,10-12H,8-9H2,1H3,(H,23,27)(H,24,25)
InChIKeyMLHYJIKVQOHUEB-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.08
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide

3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide (PubChem CID 20789049) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide
PubChem CID20789049
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide
SMILESCn1cncc1CCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C20H18FN5O/c1-26-12-22-11-16(26)8-9-23-20(27)14-4-7-18-17(10-14)19(25-24-18)13-2-5-15(21)6-3-13/h2-7,10-12H,8-9H2,1H3,(H,23,27)(H,24,25)
InChIKeyMLHYJIKVQOHUEB-UHFFFAOYSA-N
XLogP3.08
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide (CID 20789049) is 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide is Cn1cncc1CCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide?
The InChIKey is MLHYJIKVQOHUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-26-12-22-11-16(26)8-9-23-20(27)14-4-7-18-17(10-14)19(25-24-18)13-2-5-15(21)6-3-13/h2-7,10-12H,8-9H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide?
3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 20789049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).