[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone

C26H27N5O5S — CID 137367847

IUPAC[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
SMILESCC(C)(O)c1ccnc(-c2cnc(-c3cn(S(C)(=O)=O)c4ccc(C(=O)N5CCOCC5)cc34)nc2)c1
InChIInChI=1S/C26H27N5O5S/c1-26(2,33)19-6-7-27-22(13-19)18-14-28-24(29-15-18)21-16-31(37(3,34)35)23-5-4-17(12-20(21)23)25(32)30-8-10-36-11-9-30/h4-7,12-16,33H,8-11H2,1-3H3
InChIKeyWWFFNVLVVQIMSO-UHFFFAOYSA-N
MW521.60 g/mol
LogP2.67
Rot. Bonds5

About [3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone

[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone (PubChem CID 137367847) has the molecular formula C26H27N5O5S and a molecular weight of 521.60 g/mol. Its IUPAC name is [3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
PubChem CID137367847
Molecular FormulaC26H27N5O5S
Molecular Weight521.60 g/mol
Exact Mass521.17
IUPAC Name[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
SMILESCC(C)(O)c1ccnc(-c2cnc(-c3cn(S(C)(=O)=O)c4ccc(C(=O)N5CCOCC5)cc34)nc2)c1
InChIInChI=1S/C26H27N5O5S/c1-26(2,33)19-6-7-27-22(13-19)18-14-28-24(29-15-18)21-16-31(37(3,34)35)23-5-4-17(12-20(21)23)25(32)30-8-10-36-11-9-30/h4-7,12-16,33H,8-11H2,1-3H3
InChIKeyWWFFNVLVVQIMSO-UHFFFAOYSA-N
XLogP2.67
TPSA127.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.60
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367091
[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367070
N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide
CID 137367850
[1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone
CID 142501777
N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide
CID 137367814
1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone
CID 137367695
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
CID 118666107
3-[5-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methyl-1-methylsulfonylindole-5-carboxamide
CID 142501754
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412

Frequently Asked Questions

What is the IUPAC name of [3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone (CID 137367847) is [3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone is CC(C)(O)c1ccnc(-c2cnc(-c3cn(S(C)(=O)=O)c4ccc(C(=O)N5CCOCC5)cc34)nc2)c1.
What is the InChIKey of [3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is WWFFNVLVVQIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5S/c1-26(2,33)19-6-7-27-22(13-19)18-14-28-24(29-15-18)21-16-31(37(3,34)35)23-5-4-17(12-20(21)23)25(32)30-8-10-36-11-9-30/h4-7,12-16,33H,8-11H2,1-3H3.
What are the key properties of [3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 521.60 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137367847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).