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

C26H34N6O3 — CID 126485724

IUPAC[(2S)-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCO[C@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1
InChIInChI=1S/C26H34N6O3/c1-17-9-20-12-27-32(24(20)10-23(17)19-3-5-30(6-4-19)21-15-34-16-21)26-11-25(28-18(2)29-26)31-7-8-35-22(13-31)14-33/h9-12,19,21-22,33H,3-8,13-16H2,1-2H3/t22-/m0/s1
InChIKeyMQDWUMTZGKVPSX-QFIPXVFZSA-N
MW478.60 g/mol
LogP2.21
Rot. Bonds5

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

[(2S)-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 126485724) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is [(2S)-4-[2-methyl-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[(2S)-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID126485724
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name[(2S)-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCO[C@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1
InChIInChI=1S/C26H34N6O3/c1-17-9-20-12-27-32(24(20)10-23(17)19-3-5-30(6-4-19)21-15-34-16-21)26-11-25(28-18(2)29-26)31-7-8-35-22(13-31)14-33/h9-12,19,21-22,33H,3-8,13-16H2,1-2H3/t22-/m0/s1
InChIKeyMQDWUMTZGKVPSX-QFIPXVFZSA-N
XLogP2.21
TPSA88.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[2-methyl-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 [(2S)-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (CID 126485724) is [(2S)-4-[2-methyl-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 [(2S)-4-[2-methyl-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 [(2S)-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is Cc1nc(N2CCO[C@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1.
What is the InChIKey of [(2S)-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is MQDWUMTZGKVPSX-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-17-9-20-12-27-32(24(20)10-23(17)19-3-5-30(6-4-19)21-15-34-16-21)26-11-25(28-18(2)29-26)31-7-8-35-22(13-31)14-33/h9-12,19,21-22,33H,3-8,13-16H2,1-2H3/t22-/m0/s1.
What are the key properties of [(2S)-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
[(2S)-4-[2-methyl-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 478.60 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[2-methyl-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 126485724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).