4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine

C26H33N5OS — CID 24995299

IUPAC4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
SMILESCN1CCC(c2nc(-c3c[nH]c4ncc(C5=CCC(N6CCOCC6)CC5)cc34)cs2)CC1
InChIInChI=1S/C26H33N5OS/c1-30-8-6-19(7-9-30)26-29-24(17-33-26)23-16-28-25-22(23)14-20(15-27-25)18-2-4-21(5-3-18)31-10-12-32-13-11-31/h2,14-17,19,21H,3-13H2,1H3,(H,27,28)
InChIKeyWANSNSVVJPGVNS-UHFFFAOYSA-N
MW463.65 g/mol
LogP4.76
Rot. Bonds4

About 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine

4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine (PubChem CID 24995299) has the molecular formula C26H33N5OS and a molecular weight of 463.65 g/mol. Its IUPAC name is 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
PubChem CID24995299
Molecular FormulaC26H33N5OS
Molecular Weight463.65 g/mol
Exact Mass463.24
IUPAC Name4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
SMILESCN1CCC(c2nc(-c3c[nH]c4ncc(C5=CCC(N6CCOCC6)CC5)cc34)cs2)CC1
InChIInChI=1S/C26H33N5OS/c1-30-8-6-19(7-9-30)26-29-24(17-33-26)23-16-28-25-22(23)14-20(15-27-25)18-2-4-21(5-3-18)31-10-12-32-13-11-31/h2,14-17,19,21H,3-13H2,1H3,(H,27,28)
InChIKeyWANSNSVVJPGVNS-UHFFFAOYSA-N
XLogP4.76
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.65
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine with MolForge

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Related Compounds

1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 11677284
12-[4-(Piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 44546169
4-(4-(6-Bromo-7-(4-(thiazol-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)morpholine
CID 46867016
1-((2-(1H-indol-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
CID 49820826
1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 57506734
4-(5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraen-3-yl)morpholine
CID 72196728
2-(5-fluoro-1H-indol-3-yl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 145965905
2-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 145973314
(3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
CID 155561110
5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166627251
N-(2-phenylsulfanylethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
CID 86292823
5-Pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethoxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 89579611

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
The IUPAC name of 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine (CID 24995299) is 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine.
What is the SMILES notation for 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
The canonical SMILES for 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine is CN1CCC(c2nc(-c3c[nH]c4ncc(C5=CCC(N6CCOCC6)CC5)cc34)cs2)CC1.
What is the InChIKey of 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
The InChIKey is WANSNSVVJPGVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5OS/c1-30-8-6-19(7-9-30)26-29-24(17-33-26)23-16-28-25-22(23)14-20(15-27-25)18-2-4-21(5-3-18)31-10-12-32-13-11-31/h2,14-17,19,21H,3-13H2,1H3,(H,27,28).
What are the key properties of 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine has a molecular weight of 463.65 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine is sourced from PubChem (CID 24995299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).