7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile

C21H22N8 — CID 155301240

IUPAC7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCN1C=C(c2cc(-c3ccc(N4CCNCC4)nc3)n3c(C#N)cnc3c2)CN1
InChIInChI=1S/C21H22N8/c1-27-14-17(12-26-27)16-8-19(29-18(10-22)13-25-21(29)9-16)15-2-3-20(24-11-15)28-6-4-23-5-7-28/h2-3,8-9,11,13-14,23,26H,4-7,12H2,1H3
InChIKeyGNSWVHWLCHXWFL-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.47
Rot. Bonds3

About 7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile

7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 155301240) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID155301240
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCN1C=C(c2cc(-c3ccc(N4CCNCC4)nc3)n3c(C#N)cnc3c2)CN1
InChIInChI=1S/C21H22N8/c1-27-14-17(12-26-27)16-8-19(29-18(10-22)13-25-21(29)9-16)15-2-3-20(24-11-15)28-6-4-23-5-7-28/h2-3,8-9,11,13-14,23,26H,4-7,12H2,1H3
InChIKeyGNSWVHWLCHXWFL-UHFFFAOYSA-N
XLogP1.47
TPSA84.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 155301240) is 7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile is CN1C=C(c2cc(-c3ccc(N4CCNCC4)nc3)n3c(C#N)cnc3c2)CN1.
What is the InChIKey of 7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is GNSWVHWLCHXWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-27-14-17(12-26-27)16-8-19(29-18(10-22)13-25-21(29)9-16)15-2-3-20(24-11-15)28-6-4-23-5-7-28/h2-3,8-9,11,13-14,23,26H,4-7,12H2,1H3.
What are the key properties of 7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile?
7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 386.46 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155301240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).