6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C34H37N5O4 — CID 121393879

IUPAC6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCOc1ncccc1CN1CCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1
InChIInChI=1S/C34H37N5O4/c1-41-34-24(5-3-11-35-34)22-38-12-9-26(10-13-38)36-27-7-8-31-25(19-27)18-23-4-2-6-29(33(23)43-31)30-20-28(21-32(40)37-30)39-14-16-42-17-15-39/h2-8,11,19-21,26,36H,9-10,12-18,22H2,1H3,(H,37,40)
InChIKeyBLCRSMOEMZUAEI-UHFFFAOYSA-N
MW579.70 g/mol
LogP5.06
Rot. Bonds7

About 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121393879) has the molecular formula C34H37N5O4 and a molecular weight of 579.70 g/mol. Its IUPAC name is 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID121393879
Molecular FormulaC34H37N5O4
Molecular Weight579.70 g/mol
Exact Mass579.28
IUPAC Name6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCOc1ncccc1CN1CCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1
InChIInChI=1S/C34H37N5O4/c1-41-34-24(5-3-11-35-34)22-38-12-9-26(10-13-38)36-27-7-8-31-25(19-27)18-23-4-2-6-29(33(23)43-31)30-20-28(21-32(40)37-30)39-14-16-42-17-15-39/h2-8,11,19-21,26,36H,9-10,12-18,22H2,1H3,(H,37,40)
InChIKeyBLCRSMOEMZUAEI-UHFFFAOYSA-N
XLogP5.06
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[7-[[1-[(2-methoxy-3-pyridinyl)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-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121393879) is 6-[7-[[1-[(2-methoxy-3-pyridinyl)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-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is COc1ncccc1CN1CCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.
What is the InChIKey of 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is BLCRSMOEMZUAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O4/c1-41-34-24(5-3-11-35-34)22-38-12-9-26(10-13-38)36-27-7-8-31-25(19-27)18-23-4-2-6-29(33(23)43-31)30-20-28(21-32(40)37-30)39-14-16-42-17-15-39/h2-8,11,19-21,26,36H,9-10,12-18,22H2,1H3,(H,37,40).
What are the key properties of 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 579.70 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121393879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).