[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone

C24H21N3O4S — CID 170785587

IUPAC[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(-c4cccc(C(=O)N5CCCC5)c4)c3o2)cn1
InChIInChI=1S/C24H21N3O4S/c1-32(29,30)22-8-7-18(15-26-22)21-14-20-23(31-21)19(9-10-25-20)16-5-4-6-17(13-16)24(28)27-11-2-3-12-27/h4-10,13-15H,2-3,11-12H2,1H3
InChIKeyAGLLDWOOSWLHLJ-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.20
Rot. Bonds4

About [3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone

[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 170785587) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is [3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID170785587
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(-c4cccc(C(=O)N5CCCC5)c4)c3o2)cn1
InChIInChI=1S/C24H21N3O4S/c1-32(29,30)22-8-7-18(15-26-22)21-14-20-23(31-21)19(9-10-25-20)16-5-4-6-17(13-16)24(28)27-11-2-3-12-27/h4-10,13-15H,2-3,11-12H2,1H3
InChIKeyAGLLDWOOSWLHLJ-UHFFFAOYSA-N
XLogP4.20
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785231
[(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785322
(3-methylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 174249663
N,N-dimethyl-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 170785533
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
CID 170785480
[3-[2-(6-tert-butylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 170785217
morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785343
2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol
CID 170785385
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785539
[4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 66779732
tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate
CID 66779886
4-[6-(pyrrolidine-1-carbonyl)quinolin-4-yl]benzoic acid
CID 142527633

Frequently Asked Questions

What is the IUPAC name of [3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 170785587) is [3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone is CS(=O)(=O)c1ccc(-c2cc3nccc(-c4cccc(C(=O)N5CCCC5)c4)c3o2)cn1.
What is the InChIKey of [3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is AGLLDWOOSWLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-32(29,30)22-8-7-18(15-26-22)21-14-20-23(31-21)19(9-10-25-20)16-5-4-6-17(13-16)24(28)27-11-2-3-12-27/h4-10,13-15H,2-3,11-12H2,1H3.
What are the key properties of [3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 447.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 170785587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).