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

C26H32N6O2 — CID 123607371

IUPAC1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C26H32N6O2/c1-2-24(33)32-12-7-19(8-13-32)18-3-5-20(6-4-18)22-15-23-25(29-10-9-28-23)26(31-22)30-17-21-16-27-11-14-34-21/h3-6,9-10,15,19,21,27H,2,7-8,11-14,16-17H2,1H3,(H,30,31)
InChIKeyKIDQUYHVCIJYBW-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.21
Rot. Bonds6

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

1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one (PubChem CID 123607371) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one
PubChem CID123607371
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C26H32N6O2/c1-2-24(33)32-12-7-19(8-13-32)18-3-5-20(6-4-18)22-15-23-25(29-10-9-28-23)26(31-22)30-17-21-16-27-11-14-34-21/h3-6,9-10,15,19,21,27H,2,7-8,11-14,16-17H2,1H3,(H,30,31)
InChIKeyKIDQUYHVCIJYBW-UHFFFAOYSA-N
XLogP3.21
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one (CID 123607371) is 1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one?
The InChIKey is KIDQUYHVCIJYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-2-24(33)32-12-7-19(8-13-32)18-3-5-20(6-4-18)22-15-23-25(29-10-9-28-23)26(31-22)30-17-21-16-27-11-14-34-21/h3-6,9-10,15,19,21,27H,2,7-8,11-14,16-17H2,1H3,(H,30,31).
What are the key properties of 1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one?
1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one has a molecular weight of 460.58 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 123607371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).