5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine

C26H24N10O — CID 152619700

IUPAC5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine
SMILESCc1cnn(-c2ccc3c(-c4cnc5cc(-c6cnn(C7CCOCC7)c6)c(C)nn45)ccnc3n2)n1
InChIInChI=1S/C26H24N10O/c1-16-12-30-36(32-16)24-4-3-21-20(5-8-27-26(21)31-24)23-14-28-25-11-22(17(2)33-35(23)25)18-13-29-34(15-18)19-6-9-37-10-7-19/h3-5,8,11-15,19H,6-7,9-10H2,1-2H3
InChIKeyZBGKLVMDHKUAMA-UHFFFAOYSA-N
MW492.55 g/mol
LogP3.75
Rot. Bonds4

About 5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine

5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine (PubChem CID 152619700) has the molecular formula C26H24N10O and a molecular weight of 492.55 g/mol. Its IUPAC name is 5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine
PubChem CID152619700
Molecular FormulaC26H24N10O
Molecular Weight492.55 g/mol
Exact Mass492.21
IUPAC Name5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine
SMILESCc1cnn(-c2ccc3c(-c4cnc5cc(-c6cnn(C7CCOCC7)c6)c(C)nn45)ccnc3n2)n1
InChIInChI=1S/C26H24N10O/c1-16-12-30-36(32-16)24-4-3-21-20(5-8-27-26(21)31-24)23-14-28-25-11-22(17(2)33-35(23)25)18-13-29-34(15-18)19-6-9-37-10-7-19/h3-5,8,11-15,19H,6-7,9-10H2,1-2H3
InChIKeyZBGKLVMDHKUAMA-UHFFFAOYSA-N
XLogP3.75
TPSA113.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine?
The IUPAC name of 5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine (CID 152619700) is 5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine.
What is the SMILES notation for 5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine?
The canonical SMILES for 5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine is Cc1cnn(-c2ccc3c(-c4cnc5cc(-c6cnn(C7CCOCC7)c6)c(C)nn45)ccnc3n2)n1.
What is the InChIKey of 5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine?
The InChIKey is ZBGKLVMDHKUAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N10O/c1-16-12-30-36(32-16)24-4-3-21-20(5-8-27-26(21)31-24)23-14-28-25-11-22(17(2)33-35(23)25)18-13-29-34(15-18)19-6-9-37-10-7-19/h3-5,8,11-15,19H,6-7,9-10H2,1-2H3.
What are the key properties of 5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine?
5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine has a molecular weight of 492.55 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(4-methyltriazol-2-yl)-1,8-naphthyridine is sourced from PubChem (CID 152619700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).