8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine

C33H32N8O — CID 25187304

IUPAC8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine
SMILESCOc1nccn2c(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6cccc(C)n6)n[nH]5)CC4)cc3)nc12
InChIInChI=1S/C33H32N8O/c1-22-7-6-10-27(35-22)31-37-30(38-39-31)26-15-18-40(19-16-26)21-23-11-13-24(14-12-23)28-29(25-8-4-3-5-9-25)41-20-17-34-33(42-2)32(41)36-28/h3-14,17,20,26H,15-16,18-19,21H2,1-2H3,(H,37,38,39)
InChIKeyLVEFVICBOLSRQB-UHFFFAOYSA-N
MW556.67 g/mol
LogP5.94
Rot. Bonds7

About 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine

8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine (PubChem CID 25187304) has the molecular formula C33H32N8O and a molecular weight of 556.67 g/mol. Its IUPAC name is 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine
PubChem CID25187304
Molecular FormulaC33H32N8O
Molecular Weight556.67 g/mol
Exact Mass556.27
IUPAC Name8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine
SMILESCOc1nccn2c(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6cccc(C)n6)n[nH]5)CC4)cc3)nc12
InChIInChI=1S/C33H32N8O/c1-22-7-6-10-27(35-22)31-37-30(38-39-31)26-15-18-40(19-16-26)21-23-11-13-24(14-12-23)28-29(25-8-4-3-5-9-25)41-20-17-34-33(42-2)32(41)36-28/h3-14,17,20,26H,15-16,18-19,21H2,1-2H3,(H,37,38,39)
InChIKeyLVEFVICBOLSRQB-UHFFFAOYSA-N
XLogP5.94
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine with MolForge

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Related Compounds

CID 90161075
CID 90161075
CID 11642946
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CID 11671553
CID 11671553
CID 11693440
CID 11693440
CID 44572055
CID 44572055
CID 155587716
CID 155587716
CID 155683277
CID 155683277
CID 24894100
CID 24894100
CID 44560678
CID 44560678
CID 44560726
CID 44560726
CID 44560727
CID 44560727
CID 44560732
CID 44560732

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine (CID 25187304) is 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine is COc1nccn2c(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6cccc(C)n6)n[nH]5)CC4)cc3)nc12.
What is the InChIKey of 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine?
The InChIKey is LVEFVICBOLSRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8O/c1-22-7-6-10-27(35-22)31-37-30(38-39-31)26-15-18-40(19-16-26)21-23-11-13-24(14-12-23)28-29(25-8-4-3-5-9-25)41-20-17-34-33(42-2)32(41)36-28/h3-14,17,20,26H,15-16,18-19,21H2,1-2H3,(H,37,38,39).
What are the key properties of 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine?
8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine has a molecular weight of 556.67 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 25187304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).