4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide

C23H22FN5O2 — CID 98065178

IUPAC4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1CCC(c2nnc(-c3ccncc3)o2)CC1)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C23H22FN5O2/c24-18-2-1-3-19-17(18)12-20(27-19)21(30)26-13-14-4-6-15(7-5-14)22-28-29-23(31-22)16-8-10-25-11-9-16/h1-3,8-12,14-15,27H,4-7,13H2,(H,26,30)
InChIKeyNRNVIFDQGQYGCR-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.46
Rot. Bonds5

About 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide

4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide (PubChem CID 98065178) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide
PubChem CID98065178
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1CCC(c2nnc(-c3ccncc3)o2)CC1)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C23H22FN5O2/c24-18-2-1-3-19-17(18)12-20(27-19)21(30)26-13-14-4-6-15(7-5-14)22-28-29-23(31-22)16-8-10-25-11-9-16/h1-3,8-12,14-15,27H,4-7,13H2,(H,26,30)
InChIKeyNRNVIFDQGQYGCR-UHFFFAOYSA-N
XLogP4.46
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide (CID 98065178) is 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide is O=C(NCC1CCC(c2nnc(-c3ccncc3)o2)CC1)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is NRNVIFDQGQYGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c24-18-2-1-3-19-17(18)12-20(27-19)21(30)26-13-14-4-6-15(7-5-14)22-28-29-23(31-22)16-8-10-25-11-9-16/h1-3,8-12,14-15,27H,4-7,13H2,(H,26,30).
What are the key properties of 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide?
4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 98065178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).