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

C26H33N5O2S — CID 24993094

IUPAC[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1)N1CCCCC1
InChIInChI=1S/C26H33N5O2S/c32-26(31-8-2-1-3-9-31)25-29-23(17-34-25)22-16-28-24-21(22)14-19(15-27-24)18-4-6-20(7-5-18)30-10-12-33-13-11-30/h14-18,20H,1-13H2,(H,27,28)
InChIKeyQRQPHEYKWJTZGO-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.67
Rot. Bonds4

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

[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone (PubChem CID 24993094) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is [4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone
PubChem CID24993094
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC Name[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1)N1CCCCC1
InChIInChI=1S/C26H33N5O2S/c32-26(31-8-2-1-3-9-31)25-29-23(17-34-25)22-16-28-24-21(22)14-19(15-27-24)18-4-6-20(7-5-18)30-10-12-33-13-11-30/h14-18,20H,1-13H2,(H,27,28)
InChIKeyQRQPHEYKWJTZGO-UHFFFAOYSA-N
XLogP4.67
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone (CID 24993094) is [4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone is O=C(c1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1)N1CCCCC1.
What is the InChIKey of [4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is QRQPHEYKWJTZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2S/c32-26(31-8-2-1-3-9-31)25-29-23(17-34-25)22-16-28-24-21(22)14-19(15-27-24)18-4-6-20(7-5-18)30-10-12-33-13-11-30/h14-18,20H,1-13H2,(H,27,28).
What are the key properties of [4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?
[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 479.65 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 24993094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).