5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide

C18H22FN5O — CID 118772799

IUPAC5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)c1c(C)c2cc(F)ccc2n1C
InChIInChI=1S/C18H22FN5O/c1-5-8-24-17(20-10-21-24)12(3)22-18(25)16-11(2)14-9-13(19)6-7-15(14)23(16)4/h6-7,9-10,12H,5,8H2,1-4H3,(H,22,25)
InChIKeyLBRJJMHKBSMNFN-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.12
Rot. Bonds5

About 5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide

5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide (PubChem CID 118772799) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide
PubChem CID118772799
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)c1c(C)c2cc(F)ccc2n1C
InChIInChI=1S/C18H22FN5O/c1-5-8-24-17(20-10-21-24)12(3)22-18(25)16-11(2)14-9-13(19)6-7-15(14)23(16)4/h6-7,9-10,12H,5,8H2,1-4H3,(H,22,25)
InChIKeyLBRJJMHKBSMNFN-UHFFFAOYSA-N
XLogP3.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 122563851
3-fluoro-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 125441790
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 125446457
6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
CID 124907211
3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 125175780
1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 119065761
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 95148939
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122567315
2-benzyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97042057

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide?
The IUPAC name of 5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide (CID 118772799) is 5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide is CCCn1ncnc1C(C)NC(=O)c1c(C)c2cc(F)ccc2n1C.
What is the InChIKey of 5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide?
The InChIKey is LBRJJMHKBSMNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-5-8-24-17(20-10-21-24)12(3)22-18(25)16-11(2)14-9-13(19)6-7-15(14)23(16)4/h6-7,9-10,12H,5,8H2,1-4H3,(H,22,25).
What are the key properties of 5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide?
5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 118772799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).