1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol

C80H109F3N18O7 — CID 160795925

IUPAC1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol
SMILESCCC1CN(c2cc(-n3ncc4cc(C)c(C5CCN(CC(F)CO)CC5)cc43)nc(C)n2)CCO1.CCC1CN(c2cc(-n3ncc4cc(C)c(C5CCN(CC(O)CF)CC5)cc43)nc(C)n2)CCO1.Cc1nc(N2CCOC(CO)C2)cc(-n2ncc3cc(C)c(C4CCN(CC(C)O)CC4F)cc32)n1
InChIInChI=1S/2C27H37FN6O2.C26H35FN6O3/c1-4-23-17-33(9-10-36-23)26-13-27(31-19(3)30-26)34-25-12-24(18(2)11-21(25)15-29-34)20-5-7-32(8-6-20)16-22(35)14-28;1-4-23-16-33(9-10-36-23)26-13-27(31-19(3)30-26)34-25-12-24(18(2)11-21(25)14-29-34)20-5-7-32(8-6-20)15-22(28)17-35;1-16-8-19-11-28-33(24(19)9-22(16)21-4-5-31(12-17(2)35)14-23(21)27)26-10-25(29-18(3)30-26)32-6-7-36-20(13-32)15-34/h11-13,15,20,22-23,35H,4-10,14,16-17H2,1-3H3;11-14,20,22-23,35H,4-10,15-17H2,1-3H3;8-11,17,20-21,23,34-35H,4-7,12-15H2,1-3H3
InChIKeySCLDIUDIMVKOBX-UHFFFAOYSA-N
MW1491.86 g/mol
LogP9.25
Rot. Bonds20

About 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol

1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol (PubChem CID 160795925) has the molecular formula C80H109F3N18O7 and a molecular weight of 1491.86 g/mol. Its IUPAC name is 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol
PubChem CID160795925
Molecular FormulaC80H109F3N18O7
Molecular Weight1491.86 g/mol
Exact Mass1490.87
IUPAC Name1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol
SMILESCCC1CN(c2cc(-n3ncc4cc(C)c(C5CCN(CC(F)CO)CC5)cc43)nc(C)n2)CCO1.CCC1CN(c2cc(-n3ncc4cc(C)c(C5CCN(CC(O)CF)CC5)cc43)nc(C)n2)CCO1.Cc1nc(N2CCOC(CO)C2)cc(-n2ncc3cc(C)c(C4CCN(CC(C)O)CC4F)cc32)n1
InChIInChI=1S/2C27H37FN6O2.C26H35FN6O3/c1-4-23-17-33(9-10-36-23)26-13-27(31-19(3)30-26)34-25-12-24(18(2)11-21(25)15-29-34)20-5-7-32(8-6-20)16-22(35)14-28;1-4-23-16-33(9-10-36-23)26-13-27(31-19(3)30-26)34-25-12-24(18(2)11-21(25)14-29-34)20-5-7-32(8-6-20)15-22(28)17-35;1-16-8-19-11-28-33(24(19)9-22(16)21-4-5-31(12-17(2)35)14-23(21)27)26-10-25(29-18(3)30-26)32-6-7-36-20(13-32)15-34/h11-13,15,20,22-23,35H,4-10,14,16-17H2,1-3H3;11-14,20,22-23,35H,4-10,15-17H2,1-3H3;8-11,17,20-21,23,34-35H,4-7,12-15H2,1-3H3
InChIKeySCLDIUDIMVKOBX-UHFFFAOYSA-N
XLogP9.25
TPSA258.85 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001491.86
LogP ≤ 59.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

US10975081, Example E38
CID 140318413
US10975081, Example E170
CID 141517620
US10975081, Example E22
CID 141517772
US10975081, Example E4
CID 141517832
US10975081, Example E183
CID 126485724
US10975081, Example E239
CID 126485772
US10975081, Example E188
CID 126485899
(2R)-4-[6-[6-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-2-methylmorpholine
CID 126485719
[4-[6-[6-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485729
tert-butyl (3R,4S)-3-fluoro-4-[1-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-methoxypyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate
CID 126485732
tert-butyl (3R,4S)-3-fluoro-4-[1-[2-methoxy-6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate
CID 126485735
[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485740

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol (CID 160795925) is 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol is CCC1CN(c2cc(-n3ncc4cc(C)c(C5CCN(CC(F)CO)CC5)cc43)nc(C)n2)CCO1.CCC1CN(c2cc(-n3ncc4cc(C)c(C5CCN(CC(O)CF)CC5)cc43)nc(C)n2)CCO1.Cc1nc(N2CCOC(CO)C2)cc(-n2ncc3cc(C)c(C4CCN(CC(C)O)CC4F)cc32)n1.
What is the InChIKey of 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol?
The InChIKey is SCLDIUDIMVKOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H37FN6O2.C26H35FN6O3/c1-4-23-17-33(9-10-36-23)26-13-27(31-19(3)30-26)34-25-12-24(18(2)11-21(25)15-29-34)20-5-7-32(8-6-20)16-22(35)14-28;1-4-23-16-33(9-10-36-23)26-13-27(31-19(3)30-26)34-25-12-24(18(2)11-21(25)14-29-34)20-5-7-32(8-6-20)15-22(28)17-35;1-16-8-19-11-28-33(24(19)9-22(16)21-4-5-31(12-17(2)35)14-23(21)27)26-10-25(29-18(3)30-26)32-6-7-36-20(13-32)15-34/h11-13,15,20,22-23,35H,4-10,14,16-17H2,1-3H3;11-14,20,22-23,35H,4-10,15-17H2,1-3H3;8-11,17,20-21,23,34-35H,4-7,12-15H2,1-3H3.
What are the key properties of 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol?
1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol has a molecular weight of 1491.86 g/mol, XLogP of 9.25, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 160795925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).