N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide

C16H15N5O — CID 166955014

IUPACN-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide
SMILESO=CNc1cc2cc(-c3cnc4n3CCNC4)ccc2cn1
InChIInChI=1S/C16H15N5O/c22-10-20-15-6-13-5-11(1-2-12(13)7-18-15)14-8-19-16-9-17-3-4-21(14)16/h1-2,5-8,10,17H,3-4,9H2,(H,18,20,22)
InChIKeyJKXLWPNFKLVGEH-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.77
Rot. Bonds3

About N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide

N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide (PubChem CID 166955014) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide.

Molecular Properties

Compound NameN-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide
PubChem CID166955014
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide
SMILESO=CNc1cc2cc(-c3cnc4n3CCNC4)ccc2cn1
InChIInChI=1S/C16H15N5O/c22-10-20-15-6-13-5-11(1-2-12(13)7-18-15)14-8-19-16-9-17-3-4-21(14)16/h1-2,5-8,10,17H,3-4,9H2,(H,18,20,22)
InChIKeyJKXLWPNFKLVGEH-UHFFFAOYSA-N
XLogP1.77
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethenyl]-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-amine
CID 166787118
3-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342018
3-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 96599766
3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenol
CID 175833776
3-(5-fluoro-3-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103341963
4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide
CID 138589919
(3R)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]piperidine-3-carboxamide
CID 138590972
2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138588973
3-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342044
6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine
CID 166954727
3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342092
3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342048

Frequently Asked Questions

What is the IUPAC name of N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide?
The IUPAC name of N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide (CID 166955014) is N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide.
What is the SMILES notation for N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide?
The canonical SMILES for N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide is O=CNc1cc2cc(-c3cnc4n3CCNC4)ccc2cn1.
What is the InChIKey of N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide?
The InChIKey is JKXLWPNFKLVGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-10-20-15-6-13-5-11(1-2-12(13)7-18-15)14-8-19-16-9-17-3-4-21(14)16/h1-2,5-8,10,17H,3-4,9H2,(H,18,20,22).
What are the key properties of N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide?
N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide has a molecular weight of 293.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide is sourced from PubChem (CID 166955014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).