N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide

C24H23FN4O — CID 45377349

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nccnc1-c1ccccc1
InChIInChI=1S/C24H23FN4O/c1-2-13-29(14-10-18-16-28-21-9-8-19(25)15-20(18)21)24(30)23-22(26-11-12-27-23)17-6-4-3-5-7-17/h3-9,11-12,15-16,28H,2,10,13-14H2,1H3
InChIKeyMPHGVFSZNHJJHT-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.86
Rot. Bonds7

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide (PubChem CID 45377349) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide
PubChem CID45377349
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nccnc1-c1ccccc1
InChIInChI=1S/C24H23FN4O/c1-2-13-29(14-10-18-16-28-21-9-8-19(25)15-20(18)21)24(30)23-22(26-11-12-27-23)17-6-4-3-5-7-17/h3-9,11-12,15-16,28H,2,10,13-14H2,1H3
InChIKeyMPHGVFSZNHJJHT-UHFFFAOYSA-N
XLogP4.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 45377350
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propan-2-ylpyrazine-2-carboxamide
CID 45377488
[2-(5-fluoro-1H-indol-3-yl)ethyl-[3-(4-fluorophenyl)pyrazine-2-carbonyl]amino]methyl acetate
CID 150924931
[2-(5-fluoro-1H-indol-3-yl)ethyl-[3-(4-fluoro-3-methylphenyl)pyrazine-2-carbonyl]amino]methyl acetate
CID 152561012
N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67232481
N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide
CID 45376144
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
3-bromo-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 3428130
3-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 5046594
3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide
CID 157150667
N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide
CID 67394732
N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 67234284

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide (CID 45377349) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide is CCCN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nccnc1-c1ccccc1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide?
The InChIKey is MPHGVFSZNHJJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-2-13-29(14-10-18-16-28-21-9-8-19(25)15-20(18)21)24(30)23-22(26-11-12-27-23)17-6-4-3-5-7-17/h3-9,11-12,15-16,28H,2,10,13-14H2,1H3.
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 45377349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).