[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C20H17N5O2 — CID 95108374

IUPAC[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C20H17N5O2/c26-20(14-5-9-21-10-6-14)24-11-7-15(13-24)25-18-16(3-1-8-22-18)23-19(25)17-4-2-12-27-17/h1-6,8-10,12,15H,7,11,13H2/t15-/m0/s1
InChIKeyDPABSVOKQHGGJC-HNNXBMFYSA-N
MW359.39 g/mol
LogP3.17
Rot. Bonds3

About [(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95108374) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is [(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID95108374
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C20H17N5O2/c26-20(14-5-9-21-10-6-14)24-11-7-15(13-24)25-18-16(3-1-8-22-18)23-19(25)17-4-2-12-27-17/h1-6,8-10,12,15H,7,11,13H2/t15-/m0/s1
InChIKeyDPABSVOKQHGGJC-HNNXBMFYSA-N
XLogP3.17
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 87050850
(1-ethylpyrazol-3-yl)-[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 95108385
(3R)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95108517
N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050933
N-[(3-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050941
2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97032980
2-(furan-2-yl)-3-[(3R)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97032979
thiophen-3-yl-[(3S)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108348
(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 87050817
(3-chlorophenyl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108267
(2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 53186831
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97416535

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 95108374) is [(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of [(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is DPABSVOKQHGGJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-20(14-5-9-21-10-6-14)24-11-7-15(13-24)25-18-16(3-1-8-22-18)23-19(25)17-4-2-12-27-17/h1-6,8-10,12,15H,7,11,13H2/t15-/m0/s1.
What are the key properties of [(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 359.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95108374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).