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

C21H24N4O2S — CID 24992113

IUPAC[4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc(-c2c[nH]c3ncc(C4CCCCC4)cc23)cs1)N1CCOCC1
InChIInChI=1S/C21H24N4O2S/c26-21(25-6-8-27-9-7-25)20-24-18(13-28-20)17-12-23-19-16(17)10-15(11-22-19)14-4-2-1-3-5-14/h10-14H,1-9H2,(H,22,23)
InChIKeyDMYIQCGMPRWEPV-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.21
Rot. Bonds3

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

[4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (PubChem CID 24992113) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is [4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
PubChem CID24992113
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name[4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc(-c2c[nH]c3ncc(C4CCCCC4)cc23)cs1)N1CCOCC1
InChIInChI=1S/C21H24N4O2S/c26-21(25-6-8-27-9-7-25)20-24-18(13-28-20)17-12-23-19-16(17)10-15(11-22-19)14-4-2-1-3-5-14/h10-14H,1-9H2,(H,22,23)
InChIKeyDMYIQCGMPRWEPV-UHFFFAOYSA-N
XLogP4.21
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (CID 24992113) is [4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is O=C(c1nc(-c2c[nH]c3ncc(C4CCCCC4)cc23)cs1)N1CCOCC1.
What is the InChIKey of [4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is DMYIQCGMPRWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-21(25-6-8-27-9-7-25)20-24-18(13-28-20)17-12-23-19-16(17)10-15(11-22-19)14-4-2-1-3-5-14/h10-14H,1-9H2,(H,22,23).
What are the key properties of [4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
[4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 396.52 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24992113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).