1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide

C23H24F2N6O2 — CID 154991673

IUPAC1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide
SMILESCCOCCn1ccc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)CF)n3)cc21
InChIInChI=1S/C23H24F2N6O2/c1-3-33-10-9-30-8-7-16-11-18(25)17(12-20(16)30)23(32)28-21-6-4-5-19(27-21)22-29-26-14-31(22)15(2)13-24/h4-8,11-12,14-15H,3,9-10,13H2,1-2H3,(H,27,28,32)
InChIKeyYERFOQJNEXJGGP-UHFFFAOYSA-N
MW454.48 g/mol
LogP4.25
Rot. Bonds9

About 1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide

1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide (PubChem CID 154991673) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide
PubChem CID154991673
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide
SMILESCCOCCn1ccc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)CF)n3)cc21
InChIInChI=1S/C23H24F2N6O2/c1-3-33-10-9-30-8-7-16-11-18(25)17(12-20(16)30)23(32)28-21-6-4-5-19(27-21)22-29-26-14-31(22)15(2)13-24/h4-8,11-12,14-15H,3,9-10,13H2,1-2H3,(H,27,28,32)
InChIKeyYERFOQJNEXJGGP-UHFFFAOYSA-N
XLogP4.25
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide
CID 154991704
1-[2-[benzyl(methyl)amino]ethyl]-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide
CID 154991600
5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide
CID 154636669
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide
CID 154991692
2-butanoyl-6-fluoro-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide
CID 158597616
2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide
CID 149483145
N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyrimidine-2-carboxamide
CID 135347714
N-[6-[4-[(2S)-1,1-difluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381600
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 71245263
5-[2-(cyclopropylcarbamoyl)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 146402864
6-fluoro-7-[[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 146564805

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide (CID 154991673) is 1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide is CCOCCn1ccc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)CF)n3)cc21.
What is the InChIKey of 1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide?
The InChIKey is YERFOQJNEXJGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-3-33-10-9-30-8-7-16-11-18(25)17(12-20(16)30)23(32)28-21-6-4-5-19(27-21)22-29-26-14-31(22)15(2)13-24/h4-8,11-12,14-15H,3,9-10,13H2,1-2H3,(H,27,28,32).
What are the key properties of 1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide?
1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide is sourced from PubChem (CID 154991673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).