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

C26H30N4O3 — CID 155450597

IUPAC2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3ccc(C4CC4)nc3C3CCOCC3)ccn2)ccn1
InChIInChI=1S/C26H30N4O3/c1-26(2,31)23-15-19(7-11-27-23)29-24-16-20(8-12-28-24)33-22-6-5-21(17-3-4-17)30-25(22)18-9-13-32-14-10-18/h5-8,11-12,15-18,31H,3-4,9-10,13-14H2,1-2H3,(H,27,28,29)
InChIKeyXTTVXUJGFQSYAN-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.41
Rot. Bonds7

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

2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450597) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450597
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3ccc(C4CC4)nc3C3CCOCC3)ccn2)ccn1
InChIInChI=1S/C26H30N4O3/c1-26(2,31)23-15-19(7-11-27-23)29-24-16-20(8-12-28-24)33-22-6-5-21(17-3-4-17)30-25(22)18-9-13-32-14-10-18/h5-8,11-12,15-18,31H,3-4,9-10,13-14H2,1-2H3,(H,27,28,29)
InChIKeyXTTVXUJGFQSYAN-UHFFFAOYSA-N
XLogP5.41
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-[[6-cyclopropyl-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-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450597) is 2-[4-[[4-[[6-cyclopropyl-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-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3ccc(C4CC4)nc3C3CCOCC3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is XTTVXUJGFQSYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-26(2,31)23-15-19(7-11-27-23)29-24-16-20(8-12-28-24)33-22-6-5-21(17-3-4-17)30-25(22)18-9-13-32-14-10-18/h5-8,11-12,15-18,31H,3-4,9-10,13-14H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 446.55 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).