3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine

C22H25N5O — CID 142594610

IUPAC3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine
SMILESCCc1c(-c2cnc3cncc(OC)n23)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H25N5O/c1-3-16-17-10-15(14-6-8-23-9-7-14)4-5-18(17)26-22(16)19-11-25-20-12-24-13-21(28-2)27(19)20/h4-5,10-14,23,26H,3,6-9H2,1-2H3
InChIKeyUGFBVLLXNHWUPZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.92
Rot. Bonds4

About 3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine

3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine (PubChem CID 142594610) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine
PubChem CID142594610
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine
SMILESCCc1c(-c2cnc3cncc(OC)n23)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H25N5O/c1-3-16-17-10-15(14-6-8-23-9-7-14)4-5-18(17)26-22(16)19-11-25-20-12-24-13-21(28-2)27(19)20/h4-5,10-14,23,26H,3,6-9H2,1-2H3
InChIKeyUGFBVLLXNHWUPZ-UHFFFAOYSA-N
XLogP3.92
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 142594226
2-amino-4-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)pyridin-3-ol
CID 134329906
2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole
CID 142594360
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole
CID 134230741
[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 134231041
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole;hydrochloride
CID 134231013
3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 134330051
2-(2-chloro-5-methoxy-4-pyridinyl)-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole
CID 134329820
2,3-dimethyl-5-piperidin-4-yl-1H-indole
CID 82391168
2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole
CID 134329795
7-chloro-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594371
5-[1-(2-chloropiperidin-1-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole
CID 175223781

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine (CID 142594610) is 3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine is CCc1c(-c2cnc3cncc(OC)n23)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine?
The InChIKey is UGFBVLLXNHWUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-3-16-17-10-15(14-6-8-23-9-7-14)4-5-18(17)26-22(16)19-11-25-20-12-24-13-21(28-2)27(19)20/h4-5,10-14,23,26H,3,6-9H2,1-2H3.
What are the key properties of 3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine?
3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine has a molecular weight of 375.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 142594610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).