2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one

C26H32FN7O2 — CID 78012313

IUPAC2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
SMILESCC(C)(F)C(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C26H32FN7O2/c1-26(2,27)25(35)34-12-10-33(11-13-34)19-5-3-18(4-6-19)21-15-22-23(30-8-7-29-22)24(32-21)31-17-20-16-28-9-14-36-20/h3-8,15,20,28H,9-14,16-17H2,1-2H3,(H,31,32)
InChIKeyZNWBJJHWABWXIU-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.49
Rot. Bonds6

About 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one

2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one (PubChem CID 78012313) has the molecular formula C26H32FN7O2 and a molecular weight of 493.59 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
PubChem CID78012313
Molecular FormulaC26H32FN7O2
Molecular Weight493.59 g/mol
Exact Mass493.26
IUPAC Name2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
SMILESCC(C)(F)C(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C26H32FN7O2/c1-26(2,27)25(35)34-12-10-33(11-13-34)19-5-3-18(4-6-19)21-15-22-23(30-8-7-29-22)24(32-21)31-17-20-16-28-9-14-36-20/h3-8,15,20,28H,9-14,16-17H2,1-2H3,(H,31,32)
InChIKeyZNWBJJHWABWXIU-UHFFFAOYSA-N
XLogP2.49
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one (CID 78012313) is 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one is CC(C)(F)C(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1.
What is the InChIKey of 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is ZNWBJJHWABWXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2/c1-26(2,27)25(35)34-12-10-33(11-13-34)19-5-3-18(4-6-19)21-15-22-23(30-8-7-29-22)24(32-21)31-17-20-16-28-9-14-36-20/h3-8,15,20,28H,9-14,16-17H2,1-2H3,(H,31,32).
What are the key properties of 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one?
2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 493.59 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 78012313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).