5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine

C25H27N9 — CID 166177844

IUPAC5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine
SMILESCc1nn2c(-c3ccnc4nc(C5CC(C)NN5)ccc34)cnc2cc1-c1cnn(C(C)C)c1
InChIInChI=1S/C25H27N9/c1-14(2)33-13-17(11-28-33)20-10-24-27-12-23(34(24)32-16(20)4)18-7-8-26-25-19(18)5-6-21(29-25)22-9-15(3)30-31-22/h5-8,10-15,22,30-31H,9H2,1-4H3
InChIKeyKBPFFCCMSYLPBK-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.02
Rot. Bonds4

About 5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine

5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine (PubChem CID 166177844) has the molecular formula C25H27N9 and a molecular weight of 453.55 g/mol. Its IUPAC name is 5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine
PubChem CID166177844
Molecular FormulaC25H27N9
Molecular Weight453.55 g/mol
Exact Mass453.24
IUPAC Name5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine
SMILESCc1nn2c(-c3ccnc4nc(C5CC(C)NN5)ccc34)cnc2cc1-c1cnn(C(C)C)c1
InChIInChI=1S/C25H27N9/c1-14(2)33-13-17(11-28-33)20-10-24-27-12-23(34(24)32-16(20)4)18-7-8-26-25-19(18)5-6-21(29-25)22-9-15(3)30-31-22/h5-8,10-15,22,30-31H,9H2,1-4H3
InChIKeyKBPFFCCMSYLPBK-UHFFFAOYSA-N
XLogP4.02
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine?
The IUPAC name of 5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine (CID 166177844) is 5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine.
What is the SMILES notation for 5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine?
The canonical SMILES for 5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine is Cc1nn2c(-c3ccnc4nc(C5CC(C)NN5)ccc34)cnc2cc1-c1cnn(C(C)C)c1.
What is the InChIKey of 5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine?
The InChIKey is KBPFFCCMSYLPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9/c1-14(2)33-13-17(11-28-33)20-10-24-27-12-23(34(24)32-16(20)4)18-7-8-26-25-19(18)5-6-21(29-25)22-9-15(3)30-31-22/h5-8,10-15,22,30-31H,9H2,1-4H3.
What are the key properties of 5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine?
5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine has a molecular weight of 453.55 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-(5-methylpyrazolidin-3-yl)-1,8-naphthyridine is sourced from PubChem (CID 166177844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).