[(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol

C26H34N6O4 — CID 126485821

IUPAC[(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCOc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1
InChIInChI=1S/C26H34N6O4/c1-17-9-19-12-27-32(23(19)10-22(17)18-3-5-30(6-4-18)20-15-35-16-20)25-11-24(28-26(29-25)34-2)31-7-8-36-21(13-31)14-33/h9-12,18,20-21,33H,3-8,13-16H2,1-2H3/t21-/m1/s1
InChIKeyZBNNPKYCEYGKAM-OAQYLSRUSA-N
MW494.60 g/mol
LogP1.91
Rot. Bonds6

About [(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol

[(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 126485821) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is [(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID126485821
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Name[(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCOc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1
InChIInChI=1S/C26H34N6O4/c1-17-9-19-12-27-32(23(19)10-22(17)18-3-5-30(6-4-18)20-15-35-16-20)25-11-24(28-26(29-25)34-2)31-7-8-36-21(13-31)14-33/h9-12,18,20-21,33H,3-8,13-16H2,1-2H3/t21-/m1/s1
InChIKeyZBNNPKYCEYGKAM-OAQYLSRUSA-N
XLogP1.91
TPSA98.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (CID 126485821) is [(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is COc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1.
What is the InChIKey of [(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is ZBNNPKYCEYGKAM-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-17-9-19-12-27-32(23(19)10-22(17)18-3-5-30(6-4-18)20-15-35-16-20)25-11-24(28-26(29-25)34-2)31-7-8-36-21(13-31)14-33/h9-12,18,20-21,33H,3-8,13-16H2,1-2H3/t21-/m1/s1.
What are the key properties of [(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
[(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 494.60 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 126485821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).