[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol

C23H30N6O2 — CID 126485899

IUPAC[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1
InChIInChI=1S/C23H30N6O2/c1-15-9-18-12-25-29(21(18)10-20(15)17-3-5-24-6-4-17)23-11-22(26-16(2)27-23)28-7-8-31-19(13-28)14-30/h9-12,17,19,24,30H,3-8,13-14H2,1-2H3/t19-/m1/s1
InChIKeyXXKLZSRGSYWOHE-LJQANCHMSA-N
MW422.53 g/mol
LogP2.10
Rot. Bonds4

About [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol

[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 126485899) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID126485899
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1
InChIInChI=1S/C23H30N6O2/c1-15-9-18-12-25-29(21(18)10-20(15)17-3-5-24-6-4-17)23-11-22(26-16(2)27-23)28-7-8-31-19(13-28)14-30/h9-12,17,19,24,30H,3-8,13-14H2,1-2H3/t19-/m1/s1
InChIKeyXXKLZSRGSYWOHE-LJQANCHMSA-N
XLogP2.10
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol (CID 126485899) is [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol is Cc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1.
What is the InChIKey of [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is XXKLZSRGSYWOHE-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-9-18-12-25-29(21(18)10-20(15)17-3-5-24-6-4-17)23-11-22(26-16(2)27-23)28-7-8-31-19(13-28)14-30/h9-12,17,19,24,30H,3-8,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol?
[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 422.53 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 126485899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).