N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine

C26H32FN7O2 — CID 127024640

IUPACN-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine
SMILESCOc1ccc(CN2CCN(c3nc4cnc(N5CCOCC5)cc4nc3NC3CC3)CC2)c(F)c1
InChIInChI=1S/C26H32FN7O2/c1-35-20-5-2-18(21(27)14-20)17-32-6-8-34(9-7-32)26-25(29-19-3-4-19)30-22-15-24(28-16-23(22)31-26)33-10-12-36-13-11-33/h2,5,14-16,19H,3-4,6-13,17H2,1H3,(H,29,30)
InChIKeyLYFKXFAGLAPZBI-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.91
Rot. Bonds7

About N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine

N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine (PubChem CID 127024640) has the molecular formula C26H32FN7O2 and a molecular weight of 493.59 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine
PubChem CID127024640
Molecular FormulaC26H32FN7O2
Molecular Weight493.59 g/mol
Exact Mass493.26
IUPAC NameN-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine
SMILESCOc1ccc(CN2CCN(c3nc4cnc(N5CCOCC5)cc4nc3NC3CC3)CC2)c(F)c1
InChIInChI=1S/C26H32FN7O2/c1-35-20-5-2-18(21(27)14-20)17-32-6-8-34(9-7-32)26-25(29-19-3-4-19)30-22-15-24(28-16-23(22)31-26)33-10-12-36-13-11-33/h2,5,14-16,19H,3-4,6-13,17H2,1H3,(H,29,30)
InChIKeyLYFKXFAGLAPZBI-UHFFFAOYSA-N
XLogP2.91
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine (CID 127024640) is N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine is COc1ccc(CN2CCN(c3nc4cnc(N5CCOCC5)cc4nc3NC3CC3)CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine?
The InChIKey is LYFKXFAGLAPZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2/c1-35-20-5-2-18(21(27)14-20)17-32-6-8-34(9-7-32)26-25(29-19-3-4-19)30-22-15-24(28-16-23(22)31-26)33-10-12-36-13-11-33/h2,5,14-16,19H,3-4,6-13,17H2,1H3,(H,29,30).
What are the key properties of N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine?
N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine has a molecular weight of 493.59 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 127024640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).