6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide

C23H27N9O — CID 139415731

IUPAC6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(c3ccc4c(C#N)cn(C5CC(NC)C5)c4n3)CC2)nn1
InChIInChI=1S/C23H27N9O/c1-25-16-11-17(12-16)32-14-15(13-24)18-3-5-20(27-22(18)32)30-7-9-31(10-8-30)21-6-4-19(28-29-21)23(33)26-2/h3-6,14,16-17,25H,7-12H2,1-2H3,(H,26,33)
InChIKeyPXXFMUQTLZPNNS-UHFFFAOYSA-N
MW445.53 g/mol
LogP1.31
Rot. Bonds5

About 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide

6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 139415731) has the molecular formula C23H27N9O and a molecular weight of 445.53 g/mol. Its IUPAC name is 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID139415731
Molecular FormulaC23H27N9O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC Name6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(c3ccc4c(C#N)cn(C5CC(NC)C5)c4n3)CC2)nn1
InChIInChI=1S/C23H27N9O/c1-25-16-11-17(12-16)32-14-15(13-24)18-3-5-20(27-22(18)32)30-7-9-31(10-8-30)21-6-4-19(28-29-21)23(33)26-2/h3-6,14,16-17,25H,7-12H2,1-2H3,(H,26,33)
InChIKeyPXXFMUQTLZPNNS-UHFFFAOYSA-N
XLogP1.31
TPSA115.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide 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 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide (CID 139415731) is 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCN(c3ccc4c(C#N)cn(C5CC(NC)C5)c4n3)CC2)nn1.
What is the InChIKey of 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is PXXFMUQTLZPNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O/c1-25-16-11-17(12-16)32-14-15(13-24)18-3-5-20(27-22(18)32)30-7-9-31(10-8-30)21-6-4-19(28-29-21)23(33)26-2/h3-6,14,16-17,25H,7-12H2,1-2H3,(H,26,33).
What are the key properties of 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-cyano-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 139415731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).