5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide

C18H17N7O2 — CID 160698333

IUPAC5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1
InChIInChI=1S/C18H17N7O2/c1-19-17(26)12-4-11(6-20-7-12)15-9-21-16-5-14(13-8-22-24(2)10-13)18(27-3)23-25(15)16/h4-10H,1-3H3,(H,19,26)
InChIKeyRQGZFYTZDGTEOZ-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.56
Rot. Bonds4

About 5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide

5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide (PubChem CID 160698333) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide
PubChem CID160698333
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1
InChIInChI=1S/C18H17N7O2/c1-19-17(26)12-4-11(6-20-7-12)15-9-21-16-5-14(13-8-22-24(2)10-13)18(27-3)23-25(15)16/h4-10H,1-3H3,(H,19,26)
InChIKeyRQGZFYTZDGTEOZ-UHFFFAOYSA-N
XLogP1.56
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide (CID 160698333) is 5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1.
What is the InChIKey of 5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is RQGZFYTZDGTEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-19-17(26)12-4-11(6-20-7-12)15-9-21-16-5-14(13-8-22-24(2)10-13)18(27-3)23-25(15)16/h4-10H,1-3H3,(H,19,26).
What are the key properties of 5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 160698333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).