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

C23H29N5O3 — CID 126485772

IUPAC[(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCOCC4)cc32)n1
InChIInChI=1S/C23H29N5O3/c1-15-9-18-12-24-28(21(18)10-20(15)17-3-6-30-7-4-17)23-11-22(25-16(2)26-23)27-5-8-31-19(13-27)14-29/h9-12,17,19,29H,3-8,13-14H2,1-2H3/t19-/m1/s1
InChIKeyGTQAJDKSRXRTIX-LJQANCHMSA-N
MW423.52 g/mol
LogP2.52
Rot. Bonds4

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

[(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 126485772) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is [(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID126485772
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name[(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCOCC4)cc32)n1
InChIInChI=1S/C23H29N5O3/c1-15-9-18-12-24-28(21(18)10-20(15)17-3-6-30-7-4-17)23-11-22(25-16(2)26-23)27-5-8-31-19(13-27)14-29/h9-12,17,19,29H,3-8,13-14H2,1-2H3/t19-/m1/s1
InChIKeyGTQAJDKSRXRTIX-LJQANCHMSA-N
XLogP2.52
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 141517772
CID 141517772
CID 141517832
CID 141517832
CID 138550719
CID 138550719
CID 156518811
CID 156518811
CID 156518838
CID 156518838
CID 118664242
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CID 118930237
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CID 118930311

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (CID 126485772) is [(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is Cc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCOCC4)cc32)n1.
What is the InChIKey of [(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is GTQAJDKSRXRTIX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15-9-18-12-24-28(21(18)10-20(15)17-3-6-30-7-4-17)23-11-22(25-16(2)26-23)27-5-8-31-19(13-27)14-29/h9-12,17,19,29H,3-8,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of [(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
[(2R)-4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 423.52 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 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-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 126485772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).