4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one

C49H56N18O6 — CID 159957403

About 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one

4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 159957403) has the molecular formula C49H56N18O6 and a molecular weight of 993.11 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one
• PubChem CID: 159957403
• Molecular Formula: C49H56N18O6
• Molecular Weight: 993.11 g/mol
• Exact Mass: 992.46
• IUPAC Name: 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one
• SMILES: CN(Cc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)cnc3ccc(-n4cncn4)nc32)CC1.O=c1cnc2ccc(-n3cncn3)nc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1
• InChI: InChI=1S/C25H29N9O3.C24H27N9O3/c1-31(15-18-12-21-22(13-27-18)37-11-10-36-21)19-4-6-32(7-5-19)8-9-33-24(35)14-28-20-2-3-23(30-25(20)33)34-17-26-16-29-34;34-23-14-28-19-1-2-22(33-16-25-15-29-33)30-24(19)32(23)8-7-31-5-3-17(4-6-31)26-12-18-11-20-21(13-27-18)36-10-9-35-20/h2-3,12-14,16-17,19H,4-11,15H2,1H3;1-2,11,13-17,26H,3-10,12H2
• InChIKey: OCWUUDWPRPCKNA-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 241.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	993.11
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one?

The IUPAC name of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one (CID 159957403) is 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one.

What is the SMILES notation for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one?

The canonical SMILES for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one is CN(Cc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)cnc3ccc(-n4cncn4)nc32)CC1.O=c1cnc2ccc(-n3cncn3)nc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1.

What is the InChIKey of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one?

The InChIKey is OCWUUDWPRPCKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O3.C24H27N9O3/c1-31(15-18-12-21-22(13-27-18)37-11-10-36-21)19-4-6-32(7-5-19)8-9-33-24(35)14-28-20-2-3-23(30-25(20)33)34-17-26-16-29-34;34-23-14-28-19-1-2-22(33-16-25-15-29-33)30-24(19)32(23)8-7-31-5-3-17(4-6-31)26-12-18-11-20-21(13-27-18)36-10-9-35-20/h2-3,12-14,16-17,19H,4-11,15H2,1H3;1-2,11,13-17,26H,3-10,12H2.

What are the key properties of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one?

4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 993.11 g/mol, XLogP of 1.93, 14 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one;4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(methyl)amino]piperidin-1-yl]ethyl]-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 159957403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).