2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

C21H18N6O — CID 5327622

IUPAC2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESCCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4ncccc34)nc21
InChIInChI=1S/C21H18N6O/c1-3-27-19-14(7-5-11-23-19)21(28)26(2)17-9-8-16(25-20(17)27)15-12-24-18-13(15)6-4-10-22-18/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyNWYOKVNRAZZLMG-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.77
Rot. Bonds2

About 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (PubChem CID 5327622) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.

Molecular Properties

Compound Name2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
PubChem CID5327622
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESCCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4ncccc34)nc21
InChIInChI=1S/C21H18N6O/c1-3-27-19-14(7-5-11-23-19)21(28)26(2)17-9-8-16(25-20(17)27)15-12-24-18-13(15)6-4-10-22-18/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyNWYOKVNRAZZLMG-UHFFFAOYSA-N
XLogP3.77
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The IUPAC name of 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (CID 5327622) is 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.
What is the SMILES notation for 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The canonical SMILES for 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4ncccc34)nc21.
What is the InChIKey of 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The InChIKey is NWYOKVNRAZZLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-3-27-19-14(7-5-11-23-19)21(28)26(2)17-9-8-16(25-20(17)27)15-12-24-18-13(15)6-4-10-22-18/h4-12H,3H2,1-2H3,(H,22,24).
What are the key properties of 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one has a molecular weight of 370.42 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is sourced from PubChem (CID 5327622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).