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

C24H23N5O4S — CID 137367091

IUPAC[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccnc(-c2cnc(-c3cn(S(C)(=O)=O)c4ccc(C(=O)N5CCOCC5)cc34)nc2)c1
InChIInChI=1S/C24H23N5O4S/c1-16-5-6-25-21(11-16)18-13-26-23(27-14-18)20-15-29(34(2,31)32)22-4-3-17(12-19(20)22)24(30)28-7-9-33-10-8-28/h3-6,11-15H,7-10H2,1-2H3
InChIKeyDNFZHKTUWARXII-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.75
Rot. Bonds4

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

[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone (PubChem CID 137367091) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is [3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
PubChem CID137367091
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccnc(-c2cnc(-c3cn(S(C)(=O)=O)c4ccc(C(=O)N5CCOCC5)cc34)nc2)c1
InChIInChI=1S/C24H23N5O4S/c1-16-5-6-25-21(11-16)18-13-26-23(27-14-18)20-15-29(34(2,31)32)22-4-3-17(12-19(20)22)24(30)28-7-9-33-10-8-28/h3-6,11-15H,7-10H2,1-2H3
InChIKeyDNFZHKTUWARXII-UHFFFAOYSA-N
XLogP2.75
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367847
[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367070
N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide
CID 137367814
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
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
N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide
CID 137367850
[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
CID 118666107
[1-ethyl-3-[4-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]indazol-5-yl]-morpholin-4-ylmethanone
CID 142501777
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone
CID 137367126

Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone (CID 137367091) is [3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone is Cc1ccnc(-c2cnc(-c3cn(S(C)(=O)=O)c4ccc(C(=O)N5CCOCC5)cc34)nc2)c1.
What is the InChIKey of [3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is DNFZHKTUWARXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-16-5-6-25-21(11-16)18-13-26-23(27-14-18)20-15-29(34(2,31)32)22-4-3-17(12-19(20)22)24(30)28-7-9-33-10-8-28/h3-6,11-15H,7-10H2,1-2H3.
What are the key properties of [3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone?
[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 477.55 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137367091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).