N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide

C23H20N6OS — CID 155671001

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccsc4)c3[nH]2)n1
InChIInChI=1S/C23H20N6OS/c1-14(2)29-13-24-28-22(29)18-7-4-8-20(25-18)27-23(30)19-11-15-5-3-6-17(21(15)26-19)16-9-10-31-12-16/h3-14,26H,1-2H3,(H,25,27,30)
InChIKeyLEERPYPMIWDZBT-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.38
Rot. Bonds5

About N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide (PubChem CID 155671001) has the molecular formula C23H20N6OS and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide
PubChem CID155671001
Molecular FormulaC23H20N6OS
Molecular Weight428.52 g/mol
Exact Mass428.14
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccsc4)c3[nH]2)n1
InChIInChI=1S/C23H20N6OS/c1-14(2)29-13-24-28-22(29)18-7-4-8-20(25-18)27-23(30)19-11-15-5-3-6-17(21(15)26-19)16-9-10-31-12-16/h3-14,26H,1-2H3,(H,25,27,30)
InChIKeyLEERPYPMIWDZBT-UHFFFAOYSA-N
XLogP5.38
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide (CID 155671001) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccsc4)c3[nH]2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide?
The InChIKey is LEERPYPMIWDZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6OS/c1-14(2)29-13-24-28-22(29)18-7-4-8-20(25-18)27-23(30)19-11-15-5-3-6-17(21(15)26-19)16-9-10-31-12-16/h3-14,26H,1-2H3,(H,25,27,30).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 155671001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).