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

C28H30N6O2 — CID 58547736

IUPAC[1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCc1cc(-c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)ccn1
InChIInChI=1S/C28H30N6O2/c1-19-14-22(8-11-29-19)24-15-30-28(33-12-9-20(18-35)10-13-33)32-27(24)36-23-16-34(17-23)26-7-6-21-4-2-3-5-25(21)31-26/h2-8,11,14-15,20,23,35H,9-10,12-13,16-18H2,1H3
InChIKeyQKMOMGFVPAXGKE-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.87
Rot. Bonds6

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

[1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 58547736) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is [1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID58547736
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name[1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCc1cc(-c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)ccn1
InChIInChI=1S/C28H30N6O2/c1-19-14-22(8-11-29-19)24-15-30-28(33-12-9-20(18-35)10-13-33)32-27(24)36-23-16-34(17-23)26-7-6-21-4-2-3-5-25(21)31-26/h2-8,11,14-15,20,23,35H,9-10,12-13,16-18H2,1H3
InChIKeyQKMOMGFVPAXGKE-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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Related Compounds

2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
4-Aminoquinazoline derivative, 6a
CID 50898518
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 2999577
2-[3-[3-(2-Methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54670489
[1-[4-(1-Quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol
CID 58547809
2-[3-(3-Pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58548022
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-propan-2-yloxy-4-pyridinyl)amino]-5-quinolin-2-ylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 117885758
6-Fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline
CID 127044078
1-[4-[2-[4-(Hydroxymethyl)piperidin-1-yl]-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-5-yl]piperidin-1-yl]ethanone
CID 54596145
[1-[5-(2-Methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
CID 54671054
tert-butyl 4-[2-[4-(hydroxymethyl)piperidin-1-yl]-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 54671145
[1-[5-(6-Methyl-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
CID 58547835

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol (CID 58547736) is [1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol is Cc1cc(-c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)ccn1.
What is the InChIKey of [1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is QKMOMGFVPAXGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-19-14-22(8-11-29-19)24-15-30-28(33-12-9-20(18-35)10-13-33)32-27(24)36-23-16-34(17-23)26-7-6-21-4-2-3-5-25(21)31-26/h2-8,11,14-15,20,23,35H,9-10,12-13,16-18H2,1H3.
What are the key properties of [1-[5-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
[1-[5-(2-methyl-4-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-(2-methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58547736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).