N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide

C20H19FN4O — CID 2810128

IUPACN-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide
SMILESCc1cn(CCC(=O)Nc2nn(C)c3cccc(F)c23)c2ccccc12
InChIInChI=1S/C20H19FN4O/c1-13-12-25(16-8-4-3-6-14(13)16)11-10-18(26)22-20-19-15(21)7-5-9-17(19)24(2)23-20/h3-9,12H,10-11H2,1-2H3,(H,22,23,26)
InChIKeyFBCZDXLSEXZAPZ-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.00
Rot. Bonds4

About N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide

N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide (PubChem CID 2810128) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide
PubChem CID2810128
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide
SMILESCc1cn(CCC(=O)Nc2nn(C)c3cccc(F)c23)c2ccccc12
InChIInChI=1S/C20H19FN4O/c1-13-12-25(16-8-4-3-6-14(13)16)11-10-18(26)22-20-19-15(21)7-5-9-17(19)24(2)23-20/h3-9,12H,10-11H2,1-2H3,(H,22,23,26)
InChIKeyFBCZDXLSEXZAPZ-UHFFFAOYSA-N
XLogP4.00
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide?
The IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide (CID 2810128) is N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide.
What is the SMILES notation for N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide?
The canonical SMILES for N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide is Cc1cn(CCC(=O)Nc2nn(C)c3cccc(F)c23)c2ccccc12.
What is the InChIKey of N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide?
The InChIKey is FBCZDXLSEXZAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-12-25(16-8-4-3-6-14(13)16)11-10-18(26)22-20-19-15(21)7-5-9-17(19)24(2)23-20/h3-9,12H,10-11H2,1-2H3,(H,22,23,26).
What are the key properties of N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide?
N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide has a molecular weight of 350.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-methylindazol-3-yl)-3-(3-methylindol-1-yl)propanamide is sourced from PubChem (CID 2810128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).