N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

C24H24N4OS — CID 24803132

IUPACN-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1ccc(-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C24H24N4OS/c29-24(27-16-20(28-14-4-5-15-28)17-6-2-1-3-7-17)22-9-8-21(30-22)18-10-12-25-23-19(18)11-13-26-23/h1-3,6-13,20H,4-5,14-16H2,(H,25,26)(H,27,29)
InChIKeyGFKHTFTWESSJMI-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.86
Rot. Bonds6

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide (PubChem CID 24803132) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
PubChem CID24803132
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1ccc(-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C24H24N4OS/c29-24(27-16-20(28-14-4-5-15-28)17-6-2-1-3-7-17)22-9-8-21(30-22)18-10-12-25-23-19(18)11-13-26-23/h1-3,6-13,20H,4-5,14-16H2,(H,25,26)(H,27,29)
InChIKeyGFKHTFTWESSJMI-UHFFFAOYSA-N
XLogP4.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide (CID 24803132) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)c1ccc(-c2ccnc3[nH]ccc23)s1.
What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The InChIKey is GFKHTFTWESSJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c29-24(27-16-20(28-14-4-5-15-28)17-6-2-1-3-7-17)22-9-8-21(30-22)18-10-12-25-23-19(18)11-13-26-23/h1-3,6-13,20H,4-5,14-16H2,(H,25,26)(H,27,29).
What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 24803132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).