6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C20H16N6O2 — CID 50992288

IUPAC6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cnc2oc3c(N4CCOCC4)nc(-c4ccnc5[nH]ccc45)nc3c2c1
InChIInChI=1S/C20H16N6O2/c1-2-14-15-16(28-20(14)23-5-1)19(26-8-10-27-11-9-26)25-18(24-15)13-4-7-22-17-12(13)3-6-21-17/h1-7H,8-11H2,(H,21,22)
InChIKeyZLVPDFXZNQPODV-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.15
Rot. Bonds2

About 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 50992288) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID50992288
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cnc2oc3c(N4CCOCC4)nc(-c4ccnc5[nH]ccc45)nc3c2c1
InChIInChI=1S/C20H16N6O2/c1-2-14-15-16(28-20(14)23-5-1)19(26-8-10-27-11-9-26)25-18(24-15)13-4-7-22-17-12(13)3-6-21-17/h1-7H,8-11H2,(H,21,22)
InChIKeyZLVPDFXZNQPODV-UHFFFAOYSA-N
XLogP3.15
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 50992288) is 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cnc2oc3c(N4CCOCC4)nc(-c4ccnc5[nH]ccc45)nc3c2c1.
What is the InChIKey of 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is ZLVPDFXZNQPODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-2-14-15-16(28-20(14)23-5-1)19(26-8-10-27-11-9-26)25-18(24-15)13-4-7-22-17-12(13)3-6-21-17/h1-7H,8-11H2,(H,21,22).
What are the key properties of 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 372.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 50992288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).