[2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone

C41H41F3N8O6 — CID 178038854

IUPAC[2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccncc1N1CCN(C(=O)c2ccnc3cc(C(C)(F)F)oc23)CC1.COc1ccncc1N1CCN(C(=O)c2cncc3cc(C4(F)CC4)oc23)CC1
InChIInChI=1S/C21H21FN4O3.C20H20F2N4O3/c1-28-17-2-5-23-13-16(17)25-6-8-26(9-7-25)20(27)15-12-24-11-14-10-18(29-19(14)15)21(22)3-4-21;1-20(21,22)17-11-14-18(29-17)13(3-6-24-14)19(27)26-9-7-25(8-10-26)15-12-23-5-4-16(15)28-2/h2,5,10-13H,3-4,6-9H2,1H3;3-6,11-12H,7-10H2,1-2H3
InChIKeyQZUZTMAZRHTCJO-UHFFFAOYSA-N
MW798.82 g/mol
LogP6.46
Rot. Bonds8

About [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone

[2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone (PubChem CID 178038854) has the molecular formula C41H41F3N8O6 and a molecular weight of 798.82 g/mol. Its IUPAC name is [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone
PubChem CID178038854
Molecular FormulaC41H41F3N8O6
Molecular Weight798.82 g/mol
Exact Mass798.31
IUPAC Name[2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccncc1N1CCN(C(=O)c2ccnc3cc(C(C)(F)F)oc23)CC1.COc1ccncc1N1CCN(C(=O)c2cncc3cc(C4(F)CC4)oc23)CC1
InChIInChI=1S/C21H21FN4O3.C20H20F2N4O3/c1-28-17-2-5-23-13-16(17)25-6-8-26(9-7-25)20(27)15-12-24-11-14-10-18(29-19(14)15)21(22)3-4-21;1-20(21,22)17-11-14-18(29-17)13(3-6-24-14)19(27)26-9-7-25(8-10-26)15-12-23-5-4-16(15)28-2/h2,5,10-13H,3-4,6-9H2,1H3;3-6,11-12H,7-10H2,1-2H3
InChIKeyQZUZTMAZRHTCJO-UHFFFAOYSA-N
XLogP6.46
TPSA143.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.82
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone (CID 178038854) is [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone is COc1ccncc1N1CCN(C(=O)c2ccnc3cc(C(C)(F)F)oc23)CC1.COc1ccncc1N1CCN(C(=O)c2cncc3cc(C4(F)CC4)oc23)CC1.
What is the InChIKey of [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is QZUZTMAZRHTCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3.C20H20F2N4O3/c1-28-17-2-5-23-13-16(17)25-6-8-26(9-7-25)20(27)15-12-24-11-14-10-18(29-19(14)15)21(22)3-4-21;1-20(21,22)17-11-14-18(29-17)13(3-6-24-14)19(27)26-9-7-25(8-10-26)15-12-23-5-4-16(15)28-2/h2,5,10-13H,3-4,6-9H2,1H3;3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone?
[2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 798.82 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-difluoroethyl)furo[3,2-b]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone;[2-(1-fluorocyclopropyl)furo[3,2-c]pyridin-7-yl]-[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 178038854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).