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

C28H30N6O3 — CID 54671054

IUPAC[1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCOc1ncccc1-c1cnc(N2CCC(CO)CC2)nc1OC1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C28H30N6O3/c1-36-26-22(6-4-12-29-26)23-15-30-28(33-13-10-19(18-35)11-14-33)32-27(23)37-21-16-34(17-21)25-9-8-20-5-2-3-7-24(20)31-25/h2-9,12,15,19,21,35H,10-11,13-14,16-18H2,1H3
InChIKeyRLMWPIZMMMUVAL-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.57
Rot. Bonds7

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

[1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 54671054) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is [1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID54671054
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name[1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCOc1ncccc1-c1cnc(N2CCC(CO)CC2)nc1OC1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C28H30N6O3/c1-36-26-22(6-4-12-29-26)23-15-30-28(33-13-10-19(18-35)11-14-33)32-27(23)37-21-16-34(17-21)25-9-8-20-5-2-3-7-24(20)31-25/h2-9,12,15,19,21,35H,10-11,13-14,16-18H2,1H3
InChIKeyRLMWPIZMMMUVAL-UHFFFAOYSA-N
XLogP3.57
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol (CID 54671054) is [1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol is COc1ncccc1-c1cnc(N2CCC(CO)CC2)nc1OC1CN(c2ccc3ccccc3n2)C1.
What is the InChIKey of [1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is RLMWPIZMMMUVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-36-26-22(6-4-12-29-26)23-15-30-28(33-13-10-19(18-35)11-14-33)32-27(23)37-21-16-34(17-21)25-9-8-20-5-2-3-7-24(20)31-25/h2-9,12,15,19,21,35H,10-11,13-14,16-18H2,1H3.
What are the key properties of [1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol?
[1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 498.59 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 54671054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).