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

C26H35N5OS — CID 24994988

IUPAC4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCN1CCC(c2nc(-c3c[nH]c4ncc(C5CCC(N6CCOCC6)CC5)cc34)cs2)CC1
InChIInChI=1S/C26H35N5OS/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/h14-19,21H,2-13H2,1H3,(H,27,28)
InChIKeyMSUGKNPEALFZFF-UHFFFAOYSA-N
MW465.67 g/mol
LogP4.85
Rot. Bonds4

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

4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine (PubChem CID 24994988) has the molecular formula C26H35N5OS and a molecular weight of 465.67 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]cyclohexyl]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]cyclohexyl]morpholine
PubChem CID24994988
Molecular FormulaC26H35N5OS
Molecular Weight465.67 g/mol
Exact Mass465.26
IUPAC Name4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCN1CCC(c2nc(-c3c[nH]c4ncc(C5CCC(N6CCOCC6)CC5)cc34)cs2)CC1
InChIInChI=1S/C26H35N5OS/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/h14-19,21H,2-13H2,1H3,(H,27,28)
InChIKeyMSUGKNPEALFZFF-UHFFFAOYSA-N
XLogP4.85
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.67
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]cyclohexyl]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]cyclohexyl]morpholine (CID 24994988) is 4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]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]cyclohexyl]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]cyclohexyl]morpholine is CN1CCC(c2nc(-c3c[nH]c4ncc(C5CCC(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]cyclohexyl]morpholine?
The InChIKey is MSUGKNPEALFZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5OS/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/h14-19,21H,2-13H2,1H3,(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]cyclohexyl]morpholine?
4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine has a molecular weight of 465.67 g/mol, XLogP of 4.85, 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]cyclohexyl]morpholine is sourced from PubChem (CID 24994988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).