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

C22H26N4O2S — CID 24992768

IUPAC[4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESCC1CCC(c2cnc3[nH]cc(-c4csc(C(=O)N5CCOCC5)n4)c3c2)CC1
InChIInChI=1S/C22H26N4O2S/c1-14-2-4-15(5-3-14)16-10-17-18(12-24-20(17)23-11-16)19-13-29-21(25-19)22(27)26-6-8-28-9-7-26/h10-15H,2-9H2,1H3,(H,23,24)
InChIKeyYBYAMXJPXPIGJL-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.45
Rot. Bonds3

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

[4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (PubChem CID 24992768) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is [4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
PubChem CID24992768
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name[4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESCC1CCC(c2cnc3[nH]cc(-c4csc(C(=O)N5CCOCC5)n4)c3c2)CC1
InChIInChI=1S/C22H26N4O2S/c1-14-2-4-15(5-3-14)16-10-17-18(12-24-20(17)23-11-16)19-13-29-21(25-19)22(27)26-6-8-28-9-7-26/h10-15H,2-9H2,1H3,(H,23,24)
InChIKeyYBYAMXJPXPIGJL-UHFFFAOYSA-N
XLogP4.45
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (CID 24992768) is [4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is CC1CCC(c2cnc3[nH]cc(-c4csc(C(=O)N5CCOCC5)n4)c3c2)CC1.
What is the InChIKey of [4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is YBYAMXJPXPIGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-14-2-4-15(5-3-14)16-10-17-18(12-24-20(17)23-11-16)19-13-29-21(25-19)22(27)26-6-8-28-9-7-26/h10-15H,2-9H2,1H3,(H,23,24).
What are the key properties of [4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
[4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 410.54 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-methylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24992768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).