4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine

C26H29N7O2S — CID 143572306

IUPAC4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
SMILESCc1nc(-c2cnc3[nH]ccc3c2)nc(N2CCOCC2)c1SCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H29N7O2S/c1-18-23(36-17-19-2-3-22(28-15-19)32-6-10-34-11-7-32)26(33-8-12-35-13-9-33)31-25(30-18)21-14-20-4-5-27-24(20)29-16-21/h2-5,14-16H,6-13,17H2,1H3,(H,27,29)
InChIKeyQASKRHCAYQSZOY-UHFFFAOYSA-N
MW503.63 g/mol
LogP3.69
Rot. Bonds6

About 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine

4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine (PubChem CID 143572306) has the molecular formula C26H29N7O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
PubChem CID143572306
Molecular FormulaC26H29N7O2S
Molecular Weight503.63 g/mol
Exact Mass503.21
IUPAC Name4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
SMILESCc1nc(-c2cnc3[nH]ccc3c2)nc(N2CCOCC2)c1SCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H29N7O2S/c1-18-23(36-17-19-2-3-22(28-15-19)32-6-10-34-11-7-32)26(33-8-12-35-13-9-33)31-25(30-18)21-14-20-4-5-27-24(20)29-16-21/h2-5,14-16H,6-13,17H2,1H3,(H,27,29)
InChIKeyQASKRHCAYQSZOY-UHFFFAOYSA-N
XLogP3.69
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

4-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholine
CID 141372459
N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
CID 59592837
4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 143742170
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-d]pyrimidine
CID 24995736
6,6-dimethyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57385104
methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 143572067
[3-[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]phenyl]-methylsulfonylmethanamine
CID 91176234
(4-methylpiperazin-1-yl)-[3-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanone
CID 59592999
acetylene;2-hydroxy-1-[4-[[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone
CID 143572074
N-[(E,2E)-2-ethylidene-7-[5-morpholin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8-thia-2,4-diaza-7-phosphabicyclo[4.2.0]octa-1,3,5-trien-7-yl]hept-6-en-3-ynyl]methanesulfonamide
CID 143572435
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 166235300
4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 87344835

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine (CID 143572306) is 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine is Cc1nc(-c2cnc3[nH]ccc3c2)nc(N2CCOCC2)c1SCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine?
The InChIKey is QASKRHCAYQSZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2S/c1-18-23(36-17-19-2-3-22(28-15-19)32-6-10-34-11-7-32)26(33-8-12-35-13-9-33)31-25(30-18)21-14-20-4-5-27-24(20)29-16-21/h2-5,14-16H,6-13,17H2,1H3,(H,27,29).
What are the key properties of 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine?
4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine has a molecular weight of 503.63 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 143572306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).