N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine

C21H21FN6 — CID 158060360

IUPACN-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine
SMILESCc1cccc(C2=NCc3nc(N(C)c4ncccc4CCN)cnc32)c1F
InChIInChI=1S/C21H21FN6/c1-13-5-3-7-15(18(13)22)19-20-16(11-25-19)27-17(12-26-20)28(2)21-14(8-9-23)6-4-10-24-21/h3-7,10,12H,8-9,11,23H2,1-2H3
InChIKeyZAORATMWBLVFIF-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.94
Rot. Bonds5

About N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine

N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine (PubChem CID 158060360) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine
PubChem CID158060360
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC NameN-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine
SMILESCc1cccc(C2=NCc3nc(N(C)c4ncccc4CCN)cnc32)c1F
InChIInChI=1S/C21H21FN6/c1-13-5-3-7-15(18(13)22)19-20-16(11-25-19)27-17(12-26-20)28(2)21-14(8-9-23)6-4-10-24-21/h3-7,10,12H,8-9,11,23H2,1-2H3
InChIKeyZAORATMWBLVFIF-UHFFFAOYSA-N
XLogP2.94
TPSA80.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine with MolForge

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Related Compounds

N-[3-(aminomethyl)-2-pyridinyl]-3-(3-chloro-2-fluorophenyl)-N-methyl-2H-pyrazolo[3,4-b]pyrazin-6-amine
CID 139527626
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 114057477
3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114057374
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
2-(2-methylsulfanyl-3-pyridinyl)ethanamine
CID 84765480
2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine
CID 155225755
2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 112614730
3-(iodomethyl)-6-N-[3-(iodomethyl)-2-pyridinyl]-6-N-methylpyridine-2,6-diamine
CID 155228720
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
[2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride
CID 171365578

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine?
The IUPAC name of N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine (CID 158060360) is N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine is Cc1cccc(C2=NCc3nc(N(C)c4ncccc4CCN)cnc32)c1F.
What is the InChIKey of N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine?
The InChIKey is ZAORATMWBLVFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c1-13-5-3-7-15(18(13)22)19-20-16(11-25-19)27-17(12-26-20)28(2)21-14(8-9-23)6-4-10-24-21/h3-7,10,12H,8-9,11,23H2,1-2H3.
What are the key properties of N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine?
N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine has a molecular weight of 376.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)-2-pyridinyl]-7-(2-fluoro-3-methylphenyl)-N-methyl-5H-pyrrolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 158060360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).