N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide

C28H24N8O — CID 150768113

IUPACN,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide
SMILESCc1nn2c(-c3ccnc4nc(-c5ccn(C)n5)ccc34)cnc2cc1-c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C28H24N8O/c1-17-22(18-5-7-19(8-6-18)28(37)34(2)3)15-26-30-16-25(36(26)32-17)20-11-13-29-27-21(20)9-10-23(31-27)24-12-14-35(4)33-24/h5-16H,1-4H3
InChIKeyJZGUCNRYDNKFSJ-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.42
Rot. Bonds4

About N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide

N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide (PubChem CID 150768113) has the molecular formula C28H24N8O and a molecular weight of 488.56 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide
PubChem CID150768113
Molecular FormulaC28H24N8O
Molecular Weight488.56 g/mol
Exact Mass488.21
IUPAC NameN,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide
SMILESCc1nn2c(-c3ccnc4nc(-c5ccn(C)n5)ccc34)cnc2cc1-c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C28H24N8O/c1-17-22(18-5-7-19(8-6-18)28(37)34(2)3)15-26-30-16-25(36(26)32-17)20-11-13-29-27-21(20)9-10-23(31-27)24-12-14-35(4)33-24/h5-16H,1-4H3
InChIKeyJZGUCNRYDNKFSJ-UHFFFAOYSA-N
XLogP4.42
TPSA94.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide 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 N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide (CID 150768113) is N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide is Cc1nn2c(-c3ccnc4nc(-c5ccn(C)n5)ccc34)cnc2cc1-c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide?
The InChIKey is JZGUCNRYDNKFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O/c1-17-22(18-5-7-19(8-6-18)28(37)34(2)3)15-26-30-16-25(36(26)32-17)20-11-13-29-27-21(20)9-10-23(31-27)24-12-14-35(4)33-24/h5-16H,1-4H3.
What are the key properties of N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide?
N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide has a molecular weight of 488.56 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-methyl-3-[7-(1-methylpyrazol-3-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]benzamide is sourced from PubChem (CID 150768113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).