(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone

C21H17F2N5O2 — CID 77106198

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone
SMILESO=C(c1cncc2[nH]cnc12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17F2N5O2/c22-21(23)7-8-28(20(29)14-9-24-10-16-19(14)26-12-25-16)11-17(21)30-18-6-5-13-3-1-2-4-15(13)27-18/h1-6,9-10,12,17H,7-8,11H2,(H,25,26)
InChIKeyFECWIVPXGCOHRE-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.43
Rot. Bonds3

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone (PubChem CID 77106198) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone
PubChem CID77106198
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone
SMILESO=C(c1cncc2[nH]cnc12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17F2N5O2/c22-21(23)7-8-28(20(29)14-9-24-10-16-19(14)26-12-25-16)11-17(21)30-18-6-5-13-3-1-2-4-15(13)27-18/h1-6,9-10,12,17H,7-8,11H2,(H,25,26)
InChIKeyFECWIVPXGCOHRE-UHFFFAOYSA-N
XLogP3.43
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone (CID 77106198) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone is O=C(c1cncc2[nH]cnc12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone?
The InChIKey is FECWIVPXGCOHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c22-21(23)7-8-28(20(29)14-9-24-10-16-19(14)26-12-25-16)11-17(21)30-18-6-5-13-3-1-2-4-15(13)27-18/h1-6,9-10,12,17H,7-8,11H2,(H,25,26).
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone has a molecular weight of 409.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3H-imidazo[4,5-c]pyridin-7-yl)methanone is sourced from PubChem (CID 77106198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).