7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile

C23H25N9O — CID 164920655

IUPAC7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cnnc(C(C)Oc2cc(-c3nnn(C4CCNCC4)c3C)cc3ncc(C#N)n23)c1
InChIInChI=1S/C23H25N9O/c1-14-8-20(28-27-12-14)16(3)33-22-10-17(9-21-26-13-19(11-24)31(21)22)23-15(2)32(30-29-23)18-4-6-25-7-5-18/h8-10,12-13,16,18,25H,4-7H2,1-3H3
InChIKeyLEWHWRVNWVMAPC-UHFFFAOYSA-N
MW443.52 g/mol
LogP2.94
Rot. Bonds5

About 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile

7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 164920655) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID164920655
Molecular FormulaC23H25N9O
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cnnc(C(C)Oc2cc(-c3nnn(C4CCNCC4)c3C)cc3ncc(C#N)n23)c1
InChIInChI=1S/C23H25N9O/c1-14-8-20(28-27-12-14)16(3)33-22-10-17(9-21-26-13-19(11-24)31(21)22)23-15(2)32(30-29-23)18-4-6-25-7-5-18/h8-10,12-13,16,18,25H,4-7H2,1-3H3
InChIKeyLEWHWRVNWVMAPC-UHFFFAOYSA-N
XLogP2.94
TPSA118.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile (CID 164920655) is 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile is Cc1cnnc(C(C)Oc2cc(-c3nnn(C4CCNCC4)c3C)cc3ncc(C#N)n23)c1.
What is the InChIKey of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is LEWHWRVNWVMAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O/c1-14-8-20(28-27-12-14)16(3)33-22-10-17(9-21-26-13-19(11-24)31(21)22)23-15(2)32(30-29-23)18-4-6-25-7-5-18/h8-10,12-13,16,18,25H,4-7H2,1-3H3.
What are the key properties of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 443.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-(5-methylpyridazin-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).