N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine

C24H26FN5 — CID 141193042

IUPACN,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine
SMILESCCN(CC)CCN(c1cccc(F)c1)c1cncc(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C24H26FN5/c1-3-29(4-2)12-13-30(20-10-7-9-19(25)15-20)24-17-26-16-23(28-24)22-14-18-8-5-6-11-21(18)27-22/h5-11,14-17,27H,3-4,12-13H2,1-2H3
InChIKeyTUNMEZNLLPDMQA-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.24
Rot. Bonds8

About N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine

N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine (PubChem CID 141193042) has the molecular formula C24H26FN5 and a molecular weight of 403.50 g/mol. Its IUPAC name is N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine
PubChem CID141193042
Molecular FormulaC24H26FN5
Molecular Weight403.50 g/mol
Exact Mass403.22
IUPAC NameN,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine
SMILESCCN(CC)CCN(c1cccc(F)c1)c1cncc(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C24H26FN5/c1-3-29(4-2)12-13-30(20-10-7-9-19(25)15-20)24-17-26-16-23(28-24)22-14-18-8-5-6-11-21(18)27-22/h5-11,14-17,27H,3-4,12-13H2,1-2H3
InChIKeyTUNMEZNLLPDMQA-UHFFFAOYSA-N
XLogP5.24
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide
CID 87456412
6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine
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N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
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6-N-ethyl-6-N-(3-fluorophenyl)isoquinoline-5,6-diamine
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3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
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4-fluoro-2-(6-methylpyrazin-2-yl)-1H-indole
CID 144766338
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CID 63590009
2-(5-methyl-3-pyridinyl)-1H-indole
CID 147492760
3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
CID 102985857
6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
CID 115474017
4-chloro-N-ethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 83157073

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine (CID 141193042) is N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine is CCN(CC)CCN(c1cccc(F)c1)c1cncc(-c2cc3ccccc3[nH]2)n1.
What is the InChIKey of N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine?
The InChIKey is TUNMEZNLLPDMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5/c1-3-29(4-2)12-13-30(20-10-7-9-19(25)15-20)24-17-26-16-23(28-24)22-14-18-8-5-6-11-21(18)27-22/h5-11,14-17,27H,3-4,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine?
N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine has a molecular weight of 403.50 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 141193042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).