N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide

C20H19N5O2S — CID 53186943

IUPACN-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCC(n2c(-c3ccsc3)nc3cccnc32)C1
InChIInChI=1S/C20H19N5O2S/c26-20(22-11-16-3-2-9-27-16)24-8-5-15(12-24)25-18(14-6-10-28-13-14)23-17-4-1-7-21-19(17)25/h1-4,6-7,9-10,13,15H,5,8,11-12H2,(H,22,26)
InChIKeyFHMTZEKERGNBLI-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.91
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide

N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 53186943) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
PubChem CID53186943
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCC(n2c(-c3ccsc3)nc3cccnc32)C1
InChIInChI=1S/C20H19N5O2S/c26-20(22-11-16-3-2-9-27-16)24-8-5-15(12-24)25-18(14-6-10-28-13-14)23-17-4-1-7-21-19(17)25/h1-4,6-7,9-10,13,15H,5,8,11-12H2,(H,22,26)
InChIKeyFHMTZEKERGNBLI-UHFFFAOYSA-N
XLogP3.91
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide (CID 53186943) is N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide is O=C(NCc1ccco1)N1CCC(n2c(-c3ccsc3)nc3cccnc32)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is FHMTZEKERGNBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-20(22-11-16-3-2-9-27-16)24-8-5-15(12-24)25-18(14-6-10-28-13-14)23-17-4-1-7-21-19(17)25/h1-4,6-7,9-10,13,15H,5,8,11-12H2,(H,22,26).
What are the key properties of N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53186943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).