4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine

C24H23N5OS — CID 155810463

IUPAC4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine
SMILESc1cnc2[nH]cc(-c3csc(-c4cn(CCN5CCOCC5)c5ccccc45)n3)c2c1
InChIInChI=1S/C24H23N5OS/c1-2-6-22-17(4-1)20(15-29(22)9-8-28-10-12-30-13-11-28)24-27-21(16-31-24)19-14-26-23-18(19)5-3-7-25-23/h1-7,14-16H,8-13H2,(H,25,26)
InChIKeyCKBVUACNHXOKSW-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.64
Rot. Bonds5

About 4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine

4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine (PubChem CID 155810463) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine
PubChem CID155810463
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine
SMILESc1cnc2[nH]cc(-c3csc(-c4cn(CCN5CCOCC5)c5ccccc45)n3)c2c1
InChIInChI=1S/C24H23N5OS/c1-2-6-22-17(4-1)20(15-29(22)9-8-28-10-12-30-13-11-28)24-27-21(16-31-24)19-14-26-23-18(19)5-3-7-25-23/h1-7,14-16H,8-13H2,(H,25,26)
InChIKeyCKBVUACNHXOKSW-UHFFFAOYSA-N
XLogP4.64
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine (CID 155810463) is 4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine is c1cnc2[nH]cc(-c3csc(-c4cn(CCN5CCOCC5)c5ccccc45)n3)c2c1.
What is the InChIKey of 4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine?
The InChIKey is CKBVUACNHXOKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-2-6-22-17(4-1)20(15-29(22)9-8-28-10-12-30-13-11-28)24-27-21(16-31-24)19-14-26-23-18(19)5-3-7-25-23/h1-7,14-16H,8-13H2,(H,25,26).
What are the key properties of 4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine?
4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine has a molecular weight of 429.55 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 155810463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).