4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol

C22H28N6O3 — CID 145234277

IUPAC4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol
SMILESCOc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c(C4CCNCC4O)cc32)n1
InChIInChI=1S/C22H28N6O3/c1-14-9-15-12-24-28(18(15)10-17(14)16-3-4-23-13-19(16)29)21-11-20(25-22(26-21)30-2)27-5-7-31-8-6-27/h9-12,16,19,23,29H,3-8,13H2,1-2H3
InChIKeyHZLMEBIZGDRBKS-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.41
Rot. Bonds4

About 4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol

4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol (PubChem CID 145234277) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol.

Molecular Properties

Compound Name4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol
PubChem CID145234277
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol
SMILESCOc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c(C4CCNCC4O)cc32)n1
InChIInChI=1S/C22H28N6O3/c1-14-9-15-12-24-28(18(15)10-17(14)16-3-4-23-13-19(16)29)21-11-20(25-22(26-21)30-2)27-5-7-31-8-6-27/h9-12,16,19,23,29H,3-8,13H2,1-2H3
InChIKeyHZLMEBIZGDRBKS-UHFFFAOYSA-N
XLogP1.41
TPSA97.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol?
The IUPAC name of 4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol (CID 145234277) is 4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol.
What is the SMILES notation for 4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol?
The canonical SMILES for 4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol is COc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c(C4CCNCC4O)cc32)n1.
What is the InChIKey of 4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol?
The InChIKey is HZLMEBIZGDRBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-14-9-15-12-24-28(18(15)10-17(14)16-3-4-23-13-19(16)29)21-11-20(25-22(26-21)30-2)27-5-7-31-8-6-27/h9-12,16,19,23,29H,3-8,13H2,1-2H3.
What are the key properties of 4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol?
4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol has a molecular weight of 424.51 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol is sourced from PubChem (CID 145234277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).