4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine

C21H27N5O — CID 24875373

IUPAC4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCn1cc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cn1
InChIInChI=1S/C21H27N5O/c1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)26-6-8-27-9-7-26/h10-15,18H,2-9H2,1H3,(H,22,23)
InChIKeyBCIAPPMPZKEHOE-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.32
Rot. Bonds3

About 4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine

4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine (PubChem CID 24875373) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
PubChem CID24875373
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCn1cc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cn1
InChIInChI=1S/C21H27N5O/c1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)26-6-8-27-9-7-26/h10-15,18H,2-9H2,1H3,(H,22,23)
InChIKeyBCIAPPMPZKEHOE-UHFFFAOYSA-N
XLogP3.32
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The IUPAC name of 4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine (CID 24875373) is 4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The canonical SMILES for 4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine is Cn1cc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cn1.
What is the InChIKey of 4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The InChIKey is BCIAPPMPZKEHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)26-6-8-27-9-7-26/h10-15,18H,2-9H2,1H3,(H,22,23).
What are the key properties of 4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine has a molecular weight of 365.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine is sourced from PubChem (CID 24875373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).