N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide

C22H18N4O3S — CID 53377424

IUPACN-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide
SMILESCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc5cccnc5o4)n3)ccc21
InChIInChI=1S/C22H18N4O3S/c1-2-19(27)26-9-7-14-10-13(5-6-17(14)26)16-12-30-22(24-16)25-20(28)18-11-15-4-3-8-23-21(15)29-18/h3-6,8,10-12H,2,7,9H2,1H3,(H,24,25,28)
InChIKeyRXGMBNDLFZYAPA-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.50
Rot. Bonds4

About N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide

N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide (PubChem CID 53377424) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide
PubChem CID53377424
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC NameN-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide
SMILESCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc5cccnc5o4)n3)ccc21
InChIInChI=1S/C22H18N4O3S/c1-2-19(27)26-9-7-14-10-13(5-6-17(14)26)16-12-30-22(24-16)25-20(28)18-11-15-4-3-8-23-21(15)29-18/h3-6,8,10-12H,2,7,9H2,1H3,(H,24,25,28)
InChIKeyRXGMBNDLFZYAPA-UHFFFAOYSA-N
XLogP4.50
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide (CID 53377424) is N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide is CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc5cccnc5o4)n3)ccc21.
What is the InChIKey of N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is RXGMBNDLFZYAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-2-19(27)26-9-7-14-10-13(5-6-17(14)26)16-12-30-22(24-16)25-20(28)18-11-15-4-3-8-23-21(15)29-18/h3-6,8,10-12H,2,7,9H2,1H3,(H,24,25,28).
What are the key properties of N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide?
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53377424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).