3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide

C23H20N6O2 — CID 164609090

IUPAC3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2[nH]c3ccccc3c2-c2ccoc2)n1
InChIInChI=1S/C23H20N6O2/c1-14(2)29-13-24-28-22(29)18-8-5-9-19(25-18)27-23(30)21-20(15-10-11-31-12-15)16-6-3-4-7-17(16)26-21/h3-14,26H,1-2H3,(H,25,27,30)
InChIKeyDBWSAOJEEJDSRA-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.91
Rot. Bonds5

About 3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide

3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 164609090) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
PubChem CID164609090
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2[nH]c3ccccc3c2-c2ccoc2)n1
InChIInChI=1S/C23H20N6O2/c1-14(2)29-13-24-28-22(29)18-8-5-9-19(25-18)27-23(30)21-20(15-10-11-31-12-15)16-6-3-4-7-17(16)26-21/h3-14,26H,1-2H3,(H,25,27,30)
InChIKeyDBWSAOJEEJDSRA-UHFFFAOYSA-N
XLogP4.91
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (CID 164609090) is 3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2[nH]c3ccccc3c2-c2ccoc2)n1.
What is the InChIKey of 3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is DBWSAOJEEJDSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-14(2)29-13-24-28-22(29)18-8-5-9-19(25-18)27-23(30)21-20(15-10-11-31-12-15)16-6-3-4-7-17(16)26-21/h3-14,26H,1-2H3,(H,25,27,30).
What are the key properties of 3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 164609090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).