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

C20H19N5O2S — CID 53186953

IUPACN-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCC(n2c(-c3cccs3)nc3cccnc32)C1
InChIInChI=1S/C20H19N5O2S/c26-20(22-12-15-4-2-10-27-15)24-9-7-14(13-24)25-18-16(5-1-8-21-18)23-19(25)17-6-3-11-28-17/h1-6,8,10-11,14H,7,9,12-13H2,(H,22,26)
InChIKeyAITLJHWQRYJHLO-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.91
Rot. Bonds4

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

N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 53186953) 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-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
PubChem CID53186953
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCC(n2c(-c3cccs3)nc3cccnc32)C1
InChIInChI=1S/C20H19N5O2S/c26-20(22-12-15-4-2-10-27-15)24-9-7-14(13-24)25-18-16(5-1-8-21-18)23-19(25)17-6-3-11-28-17/h1-6,8,10-11,14H,7,9,12-13H2,(H,22,26)
InChIKeyAITLJHWQRYJHLO-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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Related Compounds

2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)-9H-purine-9-carboxamide
CID 10291002
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CID 145436766
Barmastine
CID 71300
N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20908487
1-amino-N-(furan-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168288299
2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 646123
2-(3-Ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 651858
2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 656134
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
N-[(Furan-2-YL)methyl]-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]benzamide
CID 16020878
2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948440
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide
CID 127036562

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide (CID 53186953) is N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide is O=C(NCc1ccco1)N1CCC(n2c(-c3cccs3)nc3cccnc32)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is AITLJHWQRYJHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-20(22-12-15-4-2-10-27-15)24-9-7-14(13-24)25-18-16(5-1-8-21-18)23-19(25)17-6-3-11-28-17/h1-6,8,10-11,14H,7,9,12-13H2,(H,22,26).
What are the key properties of N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
N-(furan-2-ylmethyl)-3-(2-thiophen-2-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-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53186953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).