2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C24H28N4O4 — CID 155451134

IUPAC2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCOc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C2CCOCC2)n1
InChIInChI=1S/C24H28N4O4/c1-24(2,29)20-14-17(6-10-25-20)27-21-15-18(7-11-26-21)32-19-4-5-22(30-3)28-23(19)16-8-12-31-13-9-16/h4-7,10-11,14-16,29H,8-9,12-13H2,1-3H3,(H,25,26,27)
InChIKeyPAPLWYSCBNTBCC-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.54
Rot. Bonds7

About 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451134) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451134
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCOc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C2CCOCC2)n1
InChIInChI=1S/C24H28N4O4/c1-24(2,29)20-14-17(6-10-25-20)27-21-15-18(7-11-26-21)32-19-4-5-22(30-3)28-23(19)16-8-12-31-13-9-16/h4-7,10-11,14-16,29H,8-9,12-13H2,1-3H3,(H,25,26,27)
InChIKeyPAPLWYSCBNTBCC-UHFFFAOYSA-N
XLogP4.54
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451134) is 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is COc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C2CCOCC2)n1.
What is the InChIKey of 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is PAPLWYSCBNTBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(2,29)20-14-17(6-10-25-20)27-21-15-18(7-11-26-21)32-19-4-5-22(30-3)28-23(19)16-8-12-31-13-9-16/h4-7,10-11,14-16,29H,8-9,12-13H2,1-3H3,(H,25,26,27).
What are the key properties of 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 436.51 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[6-methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).