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

C22H24N4O2 — CID 155451166

IUPAC2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C2CC2)n1
InChIInChI=1S/C22H24N4O2/c1-14-4-7-18(21(25-14)15-5-6-15)28-17-9-11-24-20(13-17)26-16-8-10-23-19(12-16)22(2,3)27/h4,7-13,15,27H,5-6H2,1-3H3,(H,23,24,26)
InChIKeyWQSGKHHYYSGRES-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.82
Rot. Bonds6

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

2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451166) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451166
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C2CC2)n1
InChIInChI=1S/C22H24N4O2/c1-14-4-7-18(21(25-14)15-5-6-15)28-17-9-11-24-20(13-17)26-16-8-10-23-19(12-16)22(2,3)27/h4,7-13,15,27H,5-6H2,1-3H3,(H,23,24,26)
InChIKeyWQSGKHHYYSGRES-UHFFFAOYSA-N
XLogP4.82
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-[(2-cyclopropyl-6-methyl-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-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451166) is 2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C2CC2)n1.
What is the InChIKey of 2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is WQSGKHHYYSGRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-4-7-18(21(25-14)15-5-6-15)28-17-9-11-24-20(13-17)26-16-8-10-23-19(12-16)22(2,3)27/h4,7-13,15,27H,5-6H2,1-3H3,(H,23,24,26).
What are the key properties of 2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 376.46 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(2-cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).