4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one

C16H15N5O — CID 166177888

IUPAC4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1nc2ncc(C3=CN(C)C(=O)C4=NC=CC34)cc2n1C
InChIInChI=1S/C16H15N5O/c1-9-19-15-13(21(9)3)6-10(7-18-15)12-8-20(2)16(22)14-11(12)4-5-17-14/h4-8,11H,1-3H3
InChIKeyGJQZGKMRPNVXFG-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.67
Rot. Bonds1

About 4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one

4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 166177888) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one
PubChem CID166177888
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1nc2ncc(C3=CN(C)C(=O)C4=NC=CC34)cc2n1C
InChIInChI=1S/C16H15N5O/c1-9-19-15-13(21(9)3)6-10(7-18-15)12-8-20(2)16(22)14-11(12)4-5-17-14/h4-8,11H,1-3H3
InChIKeyGJQZGKMRPNVXFG-UHFFFAOYSA-N
XLogP1.67
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one (CID 166177888) is 4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one is Cc1nc2ncc(C3=CN(C)C(=O)C4=NC=CC34)cc2n1C.
What is the InChIKey of 4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is GJQZGKMRPNVXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-9-19-15-13(21(9)3)6-10(7-18-15)12-8-20(2)16(22)14-11(12)4-5-17-14/h4-8,11H,1-3H3.
What are the key properties of 4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one?
4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 293.33 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylimidazo[4,5-b]pyridin-6-yl)-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 166177888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).