4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C25H38N4O2 — CID 160591031

IUPAC4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCCCC(C)Cc1ncc2c(O[C@@H]3CCCN(C)C3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C25H38N4O2/c1-4-6-17(2)13-23-26-15-22-24(28-23)21(18-8-10-19(30)11-9-18)14-27-25(22)31-20-7-5-12-29(3)16-20/h14-15,17-20,30H,4-13,16H2,1-3H3/t17?,18?,19?,20-/m1/s1
InChIKeyRDABORKXTOMSGB-YSFGRKDWSA-N
MW426.61 g/mol
LogP4.49
Rot. Bonds7

About 4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 160591031) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID160591031
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCCCC(C)Cc1ncc2c(O[C@@H]3CCCN(C)C3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C25H38N4O2/c1-4-6-17(2)13-23-26-15-22-24(28-23)21(18-8-10-19(30)11-9-18)14-27-25(22)31-20-7-5-12-29(3)16-20/h14-15,17-20,30H,4-13,16H2,1-3H3/t17?,18?,19?,20-/m1/s1
InChIKeyRDABORKXTOMSGB-YSFGRKDWSA-N
XLogP4.49
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 160591031) is 4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is CCCC(C)Cc1ncc2c(O[C@@H]3CCCN(C)C3)ncc(C3CCC(O)CC3)c2n1.
What is the InChIKey of 4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is RDABORKXTOMSGB-YSFGRKDWSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-4-6-17(2)13-23-26-15-22-24(28-23)21(18-8-10-19(30)11-9-18)14-27-25(22)31-20-7-5-12-29(3)16-20/h14-15,17-20,30H,4-13,16H2,1-3H3/t17?,18?,19?,20-/m1/s1.
What are the key properties of 4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 426.61 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpentyl)-5-[(3R)-1-methylpiperidin-3-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 160591031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).