2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol

C27H29N3O4S — CID 170785472

IUPAC2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2cc(-c3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)oc34)ccn2)CC1
InChIInChI=1S/C27H29N3O4S/c1-27(2,31)20-10-14-30(15-11-20)25-16-19(8-12-29-25)22-9-13-28-23-17-24(34-26(22)23)18-4-6-21(7-5-18)35(3,32)33/h4-9,12-13,16-17,20,31H,10-11,14-15H2,1-3H3
InChIKeySSWQBEISDHSPOS-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.95
Rot. Bonds5

About 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol

2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol (PubChem CID 170785472) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol
PubChem CID170785472
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Name2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2cc(-c3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)oc34)ccn2)CC1
InChIInChI=1S/C27H29N3O4S/c1-27(2,31)20-10-14-30(15-11-20)25-16-19(8-12-29-25)22-9-13-28-23-17-24(34-26(22)23)18-4-6-21(7-5-18)35(3,32)33/h4-9,12-13,16-17,20,31H,10-11,14-15H2,1-3H3
InChIKeySSWQBEISDHSPOS-UHFFFAOYSA-N
XLogP4.95
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol with MolForge

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Related Compounds

2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine
CID 170785489
7-(2-methoxy-4-pyridinyl)-2-(4-methylsulfonylphenyl)furo[3,2-b]pyridine
CID 170785545
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 170785546
N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide
CID 170785503
2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
CID 170785473
[2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone
CID 170785203
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
CID 170785480
[(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
4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoic acid
CID 149319880
N,N-dimethyl-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 170785533
7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
CID 170785171

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol (CID 170785472) is 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(c2cc(-c3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)oc34)ccn2)CC1.
What is the InChIKey of 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The InChIKey is SSWQBEISDHSPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-27(2,31)20-10-14-30(15-11-20)25-16-19(8-12-29-25)22-9-13-28-23-17-24(34-26(22)23)18-4-6-21(7-5-18)35(3,32)33/h4-9,12-13,16-17,20,31H,10-11,14-15H2,1-3H3.
What are the key properties of 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol?
2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol has a molecular weight of 491.61 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 170785472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).