(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone

C25H21F2N3O2 — CID 123753317

IUPAC(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone
SMILESCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(-c3ccncc3)c2o1
InChIInChI=1S/C25H21F2N3O2/c1-16-12-20-13-19(14-21(23(20)32-16)17-4-8-28-9-5-17)22-3-2-18(15-29-22)24(31)30-10-6-25(26,27)7-11-30/h2-5,8-9,12-15H,6-7,10-11H2,1H3
InChIKeyGHJSIWMWIVZGCL-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.74
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone

(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone (PubChem CID 123753317) has the molecular formula C25H21F2N3O2 and a molecular weight of 433.46 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone
PubChem CID123753317
Molecular FormulaC25H21F2N3O2
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone
SMILESCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(-c3ccncc3)c2o1
InChIInChI=1S/C25H21F2N3O2/c1-16-12-20-13-19(14-21(23(20)32-16)17-4-8-28-9-5-17)22-3-2-18(15-29-22)24(31)30-10-6-25(26,27)7-11-30/h2-5,8-9,12-15H,6-7,10-11H2,1H3
InChIKeyGHJSIWMWIVZGCL-UHFFFAOYSA-N
XLogP5.74
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-pyridin-4-yl-1-benzofuran-2-yl]methyl]-4-ethenylhepta-2,4,6-trienamide
CID 123832830
(E)-1-(6-amino-3-pyridinyl)-5-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-isoquinolin-6-yl-1-benzofuran-2-yl]pent-1-en-3-one
CID 157254031
(4,4-difluoropiperidin-1-yl)-[6-[3-methyl-2-(methyliminomethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
CID 139452065
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744
(E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-isoquinolin-6-yl-1-benzofuran-2-yl]pent-1-en-3-one;methane
CID 163779206
[6-[2-(aminomethyl)-7-pyridin-4-yl-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-1-(6-amino-3-pyridinyl)-5-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-pyridin-4-yl-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-(7-chloro-2-ethyl-1-benzofuran-5-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;dichloromethane;(4,4-difluoropiperidin-1-yl)-[6-(2-ethyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone;methane;pyridin-4-ylboronic acid;2,2,2-trifluoroacetaldehyde
CID 158391113
[6-[2-(aminomethyl)-7-(trifluoromethyl)-1-benzothiophen-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 121428261
(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]pent-1-en-3-one
CID 160967384
(4,4-difluoropiperidin-1-yl)-[4-[2-ethyl-7-(3-fluoro-5-methylphenyl)-1-benzofuran-5-yl]phenyl]methanone
CID 160677024
1-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 130176929
[5-[4-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)phenyl]furan-2-yl]-methylcarbamic acid
CID 126602336
[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-3-yl] N-methylcarbamate
CID 175226575

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone (CID 123753317) is (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone is Cc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(-c3ccncc3)c2o1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone?
The InChIKey is GHJSIWMWIVZGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O2/c1-16-12-20-13-19(14-21(23(20)32-16)17-4-8-28-9-5-17)22-3-2-18(15-29-22)24(31)30-10-6-25(26,27)7-11-30/h2-5,8-9,12-15H,6-7,10-11H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone?
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone has a molecular weight of 433.46 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-7-pyridin-4-yl-1-benzofuran-5-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 123753317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).