N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C28H19N5O2S — CID 59334065

IUPACN-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCc1nc(-c2ccc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)s2)no1
InChIInChI=1S/C28H19N5O2S/c1-15-31-27(33-35-15)23-10-9-22(36-23)20-7-4-8-21-24(20)16-5-2-3-6-17(16)25(21)32-28(34)19-12-14-30-26-18(19)11-13-29-26/h2-14,25H,1H3,(H,29,30)(H,32,34)
InChIKeyGNPAVBOCHHMYJN-UHFFFAOYSA-N
MW489.56 g/mol
LogP6.15
Rot. Bonds4

About N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 59334065) has the molecular formula C28H19N5O2S and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID59334065
Molecular FormulaC28H19N5O2S
Molecular Weight489.56 g/mol
Exact Mass489.13
IUPAC NameN-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCc1nc(-c2ccc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)s2)no1
InChIInChI=1S/C28H19N5O2S/c1-15-31-27(33-35-15)23-10-9-22(36-23)20-7-4-8-21-24(20)16-5-2-3-6-17(16)25(21)32-28(34)19-12-14-30-26-18(19)11-13-29-26/h2-14,25H,1H3,(H,29,30)(H,32,34)
InChIKeyGNPAVBOCHHMYJN-UHFFFAOYSA-N
XLogP6.15
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 59334065) is N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is Cc1nc(-c2ccc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)s2)no1.
What is the InChIKey of N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is GNPAVBOCHHMYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O2S/c1-15-31-27(33-35-15)23-10-9-22(36-23)20-7-4-8-21-24(20)16-5-2-3-6-17(16)25(21)32-28(34)19-12-14-30-26-18(19)11-13-29-26/h2-14,25H,1H3,(H,29,30)(H,32,34).
What are the key properties of N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 59334065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).