N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide

C25H22N4O2S — CID 24676118

IUPACN-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccccc1)c1cccs1
InChIInChI=1S/C25H22N4O2S/c30-24(21-9-5-15-32-21)28-22(18-6-2-1-3-7-18)25(31)29-13-10-17(11-14-29)20-16-27-23-19(20)8-4-12-26-23/h1-10,12,15-16,22H,11,13-14H2,(H,26,27)(H,28,30)
InChIKeySILLETJPMPPASC-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.41
Rot. Bonds5

About N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide

N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 24676118) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID24676118
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC NameN-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccccc1)c1cccs1
InChIInChI=1S/C25H22N4O2S/c30-24(21-9-5-15-32-21)28-22(18-6-2-1-3-7-18)25(31)29-13-10-17(11-14-29)20-16-27-23-19(20)8-4-12-26-23/h1-10,12,15-16,22H,11,13-14H2,(H,26,27)(H,28,30)
InChIKeySILLETJPMPPASC-UHFFFAOYSA-N
XLogP4.41
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide (CID 24676118) is N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide is O=C(NC(C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is SILLETJPMPPASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c30-24(21-9-5-15-32-21)28-22(18-6-2-1-3-7-18)25(31)29-13-10-17(11-14-29)20-16-27-23-19(20)8-4-12-26-23/h1-10,12,15-16,22H,11,13-14H2,(H,26,27)(H,28,30).
What are the key properties of N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide?
N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24676118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).