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

C23H25FN6O2 — CID 154991704

IUPAC1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide
SMILESCCOCCn1ccc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc21
InChIInChI=1S/C23H25FN6O2/c1-4-32-11-10-29-9-8-16-12-18(24)17(13-20(16)29)23(31)27-21-7-5-6-19(26-21)22-28-25-14-30(22)15(2)3/h5-9,12-15H,4,10-11H2,1-3H3,(H,26,27,31)
InChIKeyAQPXCEYAWDOWFR-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.30
Rot. Bonds8

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

1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide (PubChem CID 154991704) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide
PubChem CID154991704
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide
SMILESCCOCCn1ccc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc21
InChIInChI=1S/C23H25FN6O2/c1-4-32-11-10-29-9-8-16-12-18(24)17(13-20(16)29)23(31)27-21-7-5-6-19(26-21)22-28-25-14-30(22)15(2)3/h5-9,12-15H,4,10-11H2,1-3H3,(H,26,27,31)
InChIKeyAQPXCEYAWDOWFR-UHFFFAOYSA-N
XLogP4.30
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

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
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-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
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 135347910
6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 146564819
N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide
CID 135348160
7-fluoro-4-methyl-3-(phenylmethoxymethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 154991644
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-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-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide (CID 154991704) is 1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-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-propan-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-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide is CCOCCn1ccc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc21.
What is the InChIKey of 1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide?
The InChIKey is AQPXCEYAWDOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-4-32-11-10-29-9-8-16-12-18(24)17(13-20(16)29)23(31)27-21-7-5-6-19(26-21)22-28-25-14-30(22)15(2)3/h5-9,12-15H,4,10-11H2,1-3H3,(H,26,27,31).
What are the key properties of 1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide?
1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.30, 8 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-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide is sourced from PubChem (CID 154991704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).