N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide

C25H22FN5O — CID 25034074

IUPACN-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCn3cc(-c4ccccc4F)nn3)ccc21
InChIInChI=1S/C25H22FN5O/c1-2-31-23-10-6-4-7-18(23)20-15-17(11-12-24(20)31)27-25(32)13-14-30-16-22(28-29-30)19-8-3-5-9-21(19)26/h3-12,15-16H,2,13-14H2,1H3,(H,27,32)
InChIKeyYGLUVTVRMKRTQV-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.24
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide

N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide (PubChem CID 25034074) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide
PubChem CID25034074
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCn3cc(-c4ccccc4F)nn3)ccc21
InChIInChI=1S/C25H22FN5O/c1-2-31-23-10-6-4-7-18(23)20-15-17(11-12-24(20)31)27-25(32)13-14-30-16-22(28-29-30)19-8-3-5-9-21(19)26/h3-12,15-16H,2,13-14H2,1H3,(H,27,32)
InChIKeyYGLUVTVRMKRTQV-UHFFFAOYSA-N
XLogP5.24
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(9-Isopropyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
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N-(9-Isobutyl-9H-carbazol-3-yl)-3-pyrrolidin-1-yl-propionamide
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N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
N-(9-ethylcarbazol-3-yl)-2-pyrrolidin-1-ylacetamide
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1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,3]triazol-4-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 9848303
N-(9-Methyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
CID 10892838
N-(9-Ethyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
CID 10969955
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(3-methyl-3H-[1,2,3]triazol-4-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11827039
N-(9-Ethyl-9H-carbazol-3-yl)-3-pyrrolidin-1-yl-propionamide
CID 22458796
N-(9-Ethyl-9H-carbazol-3-yl)-2-pyridin-4-yl-acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide (CID 25034074) is N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide is CCn1c2ccccc2c2cc(NC(=O)CCn3cc(-c4ccccc4F)nn3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide?
The InChIKey is YGLUVTVRMKRTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-2-31-23-10-6-4-7-18(23)20-15-17(11-12-24(20)31)27-25(32)13-14-30-16-22(28-29-30)19-8-3-5-9-21(19)26/h3-12,15-16H,2,13-14H2,1H3,(H,27,32).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide?
N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide has a molecular weight of 427.48 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)triazol-1-yl]propanamide is sourced from PubChem (CID 25034074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).