[1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol

C28H30N6O2 — CID 58547835

IUPAC[1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCc1ccc(-c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)cn1
InChIInChI=1S/C28H30N6O2/c1-19-6-7-22(14-29-19)24-15-30-28(33-12-10-20(18-35)11-13-33)32-27(24)36-23-16-34(17-23)26-9-8-21-4-2-3-5-25(21)31-26/h2-9,14-15,20,23,35H,10-13,16-18H2,1H3
InChIKeyYZJIBMZDMQGDMV-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.87
Rot. Bonds6

About [1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol

[1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 58547835) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is [1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID58547835
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name[1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCc1ccc(-c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)cn1
InChIInChI=1S/C28H30N6O2/c1-19-6-7-22(14-29-19)24-15-30-28(33-12-10-20(18-35)11-13-33)32-27(24)36-23-16-34(17-23)26-9-8-21-4-2-3-5-25(21)31-26/h2-9,14-15,20,23,35H,10-13,16-18H2,1H3
InChIKeyYZJIBMZDMQGDMV-UHFFFAOYSA-N
XLogP3.87
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol (CID 58547835) is [1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol is Cc1ccc(-c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)cn1.
What is the InChIKey of [1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is YZJIBMZDMQGDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-19-6-7-22(14-29-19)24-15-30-28(33-12-10-20(18-35)11-13-33)32-27(24)36-23-16-34(17-23)26-9-8-21-4-2-3-5-25(21)31-26/h2-9,14-15,20,23,35H,10-13,16-18H2,1H3.
What are the key properties of [1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
[1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 482.59 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(6-methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58547835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).