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

C27H36N6O3 — CID 153301781

IUPAC[4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCOC(CO)C2)cc(-n2ncc3cc(C)c(C4CCN(C5(C)COC5)CC4)cc32)n1
InChIInChI=1S/C27H36N6O3/c1-18-10-21-13-28-33(26-12-25(29-19(2)30-26)31-8-9-36-22(14-31)15-34)24(21)11-23(18)20-4-6-32(7-5-20)27(3)16-35-17-27/h10-13,20,22,34H,4-9,14-17H2,1-3H3
InChIKeyZYXIPNLWGVBEPO-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.60
Rot. Bonds5

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

[4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 153301781) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is [4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID153301781
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC Name[4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCOC(CO)C2)cc(-n2ncc3cc(C)c(C4CCN(C5(C)COC5)CC4)cc32)n1
InChIInChI=1S/C27H36N6O3/c1-18-10-21-13-28-33(26-12-25(29-19(2)30-26)31-8-9-36-22(14-31)15-34)24(21)11-23(18)20-4-6-32(7-5-20)27(3)16-35-17-27/h10-13,20,22,34H,4-9,14-17H2,1-3H3
InChIKeyZYXIPNLWGVBEPO-UHFFFAOYSA-N
XLogP2.60
TPSA88.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

US10975081, Example E38
CID 140318413
US10975081, Example E62
CID 140318429
US10975081, Example E40
CID 140318466
US10975081, Example E170
CID 141517620
US10975081, Example E22
CID 141517772
US10975081, Example E18
CID 141517780
US10975081, Example E4
CID 141517832
US11174248, Example 43
CID 138550719
US11161854, Example 3.3
CID 156518460
US11161854, Example 4.3-1
CID 156518811
US11161854, Example 4.9-1
CID 156518838
US10954240, Example 67
CID 118930237

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (CID 153301781) is [4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is Cc1nc(N2CCOC(CO)C2)cc(-n2ncc3cc(C)c(C4CCN(C5(C)COC5)CC4)cc32)n1.
What is the InChIKey of [4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is ZYXIPNLWGVBEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-18-10-21-13-28-33(26-12-25(29-19(2)30-26)31-8-9-36-22(14-31)15-34)24(21)11-23(18)20-4-6-32(7-5-20)27(3)16-35-17-27/h10-13,20,22,34H,4-9,14-17H2,1-3H3.
What are the key properties of [4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
[4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 492.62 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 153301781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).