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

C21H17F2N5O2 — CID 134132166

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone
SMILESO=C(c1ccnc2nc[nH]c12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17F2N5O2/c22-21(23)8-10-28(20(29)14-7-9-24-19-18(14)25-12-26-19)11-16(21)30-17-6-5-13-3-1-2-4-15(13)27-17/h1-7,9,12,16H,8,10-11H2,(H,24,25,26)
InChIKeyKZCHMGIVICNPEZ-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.43
Rot. Bonds3

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

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone (PubChem CID 134132166) 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)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone
PubChem CID134132166
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone
SMILESO=C(c1ccnc2nc[nH]c12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17F2N5O2/c22-21(23)8-10-28(20(29)14-7-9-24-19-18(14)25-12-26-19)11-16(21)30-17-6-5-13-3-1-2-4-15(13)27-17/h1-7,9,12,16H,8,10-11H2,(H,24,25,26)
InChIKeyKZCHMGIVICNPEZ-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

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone (CID 134132166) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone is O=C(c1ccnc2nc[nH]c12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone?
The InChIKey is KZCHMGIVICNPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c22-21(23)8-10-28(20(29)14-7-9-24-19-18(14)25-12-26-19)11-16(21)30-17-6-5-13-3-1-2-4-15(13)27-17/h1-7,9,12,16H,8,10-11H2,(H,24,25,26).
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]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)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone is sourced from PubChem (CID 134132166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).