6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C33H36N6O4 — CID 121393856

IUPAC6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCOc1cncc(CN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)n1
InChIInChI=1S/C33H36N6O4/c1-41-32-20-34-19-26(36-32)21-38-9-7-24(8-10-38)35-25-5-6-30-23(16-25)15-22-3-2-4-28(33(22)43-30)29-17-27(18-31(40)37-29)39-11-13-42-14-12-39/h2-6,16-20,24,35H,7-15,21H2,1H3,(H,37,40)
InChIKeySDPLNFCFLAGXEA-UHFFFAOYSA-N
MW580.69 g/mol
LogP4.45
Rot. Bonds7

About 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121393856) has the molecular formula C33H36N6O4 and a molecular weight of 580.69 g/mol. Its IUPAC name is 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID121393856
Molecular FormulaC33H36N6O4
Molecular Weight580.69 g/mol
Exact Mass580.28
IUPAC Name6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCOc1cncc(CN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)n1
InChIInChI=1S/C33H36N6O4/c1-41-32-20-34-19-26(36-32)21-38-9-7-24(8-10-38)35-25-5-6-30-23(16-25)15-22-3-2-4-28(33(22)43-30)29-17-27(18-31(40)37-29)39-11-13-42-14-12-39/h2-6,16-20,24,35H,7-15,21H2,1H3,(H,37,40)
InChIKeySDPLNFCFLAGXEA-UHFFFAOYSA-N
XLogP4.45
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.69
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121393856) is 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is COc1cncc(CN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)n1.
What is the InChIKey of 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is SDPLNFCFLAGXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6O4/c1-41-32-20-34-19-26(36-32)21-38-9-7-24(8-10-38)35-25-5-6-30-23(16-25)15-22-3-2-4-28(33(22)43-30)29-17-27(18-31(40)37-29)39-11-13-42-14-12-39/h2-6,16-20,24,35H,7-15,21H2,1H3,(H,37,40).
What are the key properties of 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 580.69 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121393856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).