morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone

C25H31N5O3S — CID 24993423

IUPACmorpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone
SMILESO=C(c1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1)N1CCOCC1
InChIInChI=1S/C25H31N5O3S/c31-25(30-7-11-33-12-8-30)24-28-22(16-34-24)21-15-27-23-20(21)13-18(14-26-23)17-1-3-19(4-2-17)29-5-9-32-10-6-29/h13-17,19H,1-12H2,(H,26,27)
InChIKeyNIBXIULBTRDTAM-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.52
Rot. Bonds4

About morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone

morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone (PubChem CID 24993423) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone
PubChem CID24993423
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC Namemorpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone
SMILESO=C(c1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1)N1CCOCC1
InChIInChI=1S/C25H31N5O3S/c31-25(30-7-11-33-12-8-30)24-28-22(16-34-24)21-15-27-23-20(21)13-18(14-26-23)17-1-3-19(4-2-17)29-5-9-32-10-6-29/h13-17,19H,1-12H2,(H,26,27)
InChIKeyNIBXIULBTRDTAM-UHFFFAOYSA-N
XLogP3.52
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone (CID 24993423) is morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone is O=C(c1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone?
The InChIKey is NIBXIULBTRDTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c31-25(30-7-11-33-12-8-30)24-28-22(16-34-24)21-15-27-23-20(21)13-18(14-26-23)17-1-3-19(4-2-17)29-5-9-32-10-6-29/h13-17,19H,1-12H2,(H,26,27).
What are the key properties of morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone?
morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone has a molecular weight of 481.62 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 24993423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).