11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene

C17H16N6O — CID 121441064

IUPAC11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene
SMILESCCCn1ccc2nc(N3CCOc4ncnc5c4C3=N5)ccc21
InChIInChI=1S/C17H16N6O/c1-2-6-22-7-5-11-12(22)3-4-13(20-11)23-8-9-24-17-14-15(18-10-19-17)21-16(14)23/h3-5,7,10H,2,6,8-9H2,1H3
InChIKeyZXRPEZPLCVKDDO-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.53
Rot. Bonds3

About 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene

11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene (PubChem CID 121441064) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene.

Molecular Properties

Compound Name11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene
PubChem CID121441064
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene
SMILESCCCn1ccc2nc(N3CCOc4ncnc5c4C3=N5)ccc21
InChIInChI=1S/C17H16N6O/c1-2-6-22-7-5-11-12(22)3-4-13(20-11)23-8-9-24-17-14-15(18-10-19-17)21-16(14)23/h3-5,7,10H,2,6,8-9H2,1H3
InChIKeyZXRPEZPLCVKDDO-UHFFFAOYSA-N
XLogP2.53
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene with MolForge

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Related Compounds

4-amino-6-(1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;ethane
CID 160997517
2-chloro-5-propylpyrrolo[3,2-d]pyrimidine
CID 89256193
4-amino-6-[1-propyl-3-(2,2,2-trifluoroacetyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;methane
CID 158344740
4-amino-6-[1-(2-hydroxy-2-methylpropyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763146
4-amino-6-[1-propyl-3-(1,1,1-trifluoro-2-methoxypropan-2-yl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 71062831
[5-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)-1-propylindol-2-yl] hydrogen carbonate
CID 121433516
4-amino-6-[1-propyl-3-(2,2,2-trifluoroacetyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-[1-propyl-3-(2,2,2-trifluoroacetyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 158726837
4-amino-6-[1-[(4-fluorophenyl)methyl]indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 71062935
4-amino-6-[3-methyl-4-(1-propylpyrazol-4-yl)phenyl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 121468274
5-butyl-2-chloropyrrolo[3,2-d]pyrimidine
CID 123957394
4-amino-6-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763508
6-(1-propan-2-ylindol-5-yl)-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-4-amine
CID 71062731

Frequently Asked Questions

What is the IUPAC name of 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene?
The IUPAC name of 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene (CID 121441064) is 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene.
What is the SMILES notation for 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene?
The canonical SMILES for 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene is CCCn1ccc2nc(N3CCOc4ncnc5c4C3=N5)ccc21.
What is the InChIKey of 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene?
The InChIKey is ZXRPEZPLCVKDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-2-6-22-7-5-11-12(22)3-4-13(20-11)23-8-9-24-17-14-15(18-10-19-17)21-16(14)23/h3-5,7,10H,2,6,8-9H2,1H3.
What are the key properties of 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene?
11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene has a molecular weight of 320.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-propylpyrrolo[3,2-b]pyridin-5-yl)-8-oxa-2,4,6,11-tetrazatricyclo[5.4.1.03,12]dodeca-1,3(12),4,6-tetraene is sourced from PubChem (CID 121441064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).