3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one

C18H17N5O2 — CID 138046382

IUPAC3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cc(-c2cnc3[nH]ccc3c2)ccn1
InChIInChI=1S/C18H17N5O2/c1-11-17(24)21-6-7-23(11)18(25)15-9-12(2-4-19-15)14-8-13-3-5-20-16(13)22-10-14/h2-5,8-11H,6-7H2,1H3,(H,20,22)(H,21,24)
InChIKeyWSMYEGFSGJKCKP-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.59
Rot. Bonds2

About 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one

3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one (PubChem CID 138046382) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one
PubChem CID138046382
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cc(-c2cnc3[nH]ccc3c2)ccn1
InChIInChI=1S/C18H17N5O2/c1-11-17(24)21-6-7-23(11)18(25)15-9-12(2-4-19-15)14-8-13-3-5-20-16(13)22-10-14/h2-5,8-11H,6-7H2,1H3,(H,20,22)(H,21,24)
InChIKeyWSMYEGFSGJKCKP-UHFFFAOYSA-N
XLogP1.59
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one (CID 138046382) is 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one is CC1C(=O)NCCN1C(=O)c1cc(-c2cnc3[nH]ccc3c2)ccn1.
What is the InChIKey of 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one?
The InChIKey is WSMYEGFSGJKCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-17(24)21-6-7-23(11)18(25)15-9-12(2-4-19-15)14-8-13-3-5-20-16(13)22-10-14/h2-5,8-11H,6-7H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one?
3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one has a molecular weight of 335.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 138046382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).