6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

C19H19ClN8 — CID 139344578

IUPAC6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESCC1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC(c2cn[nH]c2)N1
InChIInChI=1S/C19H19ClN8/c1-12-9-27(11-15(25-12)13-6-23-24-7-13)18-4-5-21-19(26-18)16-8-22-17-3-2-14(20)10-28(16)17/h2-8,10,12,15,25H,9,11H2,1H3,(H,23,24)
InChIKeyGVKKQGXUXCNLRU-UHFFFAOYSA-N
MW394.87 g/mol
LogP2.71
Rot. Bonds3

About 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 139344578) has the molecular formula C19H19ClN8 and a molecular weight of 394.87 g/mol. Its IUPAC name is 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID139344578
Molecular FormulaC19H19ClN8
Molecular Weight394.87 g/mol
Exact Mass394.14
IUPAC Name6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESCC1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC(c2cn[nH]c2)N1
InChIInChI=1S/C19H19ClN8/c1-12-9-27(11-15(25-12)13-6-23-24-7-13)18-4-5-21-19(26-18)16-8-22-17-3-2-14(20)10-28(16)17/h2-8,10,12,15,25H,9,11H2,1H3,(H,23,24)
InChIKeyGVKKQGXUXCNLRU-UHFFFAOYSA-N
XLogP2.71
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 139344578) is 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is CC1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC(c2cn[nH]c2)N1.
What is the InChIKey of 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is GVKKQGXUXCNLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN8/c1-12-9-27(11-15(25-12)13-6-23-24-7-13)18-4-5-21-19(26-18)16-8-22-17-3-2-14(20)10-28(16)17/h2-8,10,12,15,25H,9,11H2,1H3,(H,23,24).
What are the key properties of 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 394.87 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).