4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

C18H17N5O — CID 172556651

IUPAC4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)c2cc(-c3ccc4[nH]ccc4c3)[nH]c2n1
InChIInChI=1S/C18H17N5O/c1-2-15-13(3-4-19-15)9-12(1)16-10-14-17(22-16)20-11-21-18(14)23-5-7-24-8-6-23/h1-4,9-11,19H,5-8H2,(H,20,21,22)
InChIKeyFZSJTWQXSVGWSC-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.94
Rot. Bonds2

About 4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 172556651) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID172556651
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)c2cc(-c3ccc4[nH]ccc4c3)[nH]c2n1
InChIInChI=1S/C18H17N5O/c1-2-15-13(3-4-19-15)9-12(1)16-10-14-17(22-16)20-11-21-18(14)23-5-7-24-8-6-23/h1-4,9-11,19H,5-8H2,(H,20,21,22)
InChIKeyFZSJTWQXSVGWSC-UHFFFAOYSA-N
XLogP2.94
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 24794753
N-[(4-tert-butyl-2-pyridinyl)methyl]-4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline
CID 171431535
ethane;N-[4-[[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]carbamoylamino]phenyl]but-2-ynamide
CID 167469014
4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]aniline
CID 172623883
4-[2-(4-fluorophenyl)-3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 122656030
4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-[2,2,2-trifluoro-1-[(3S)-pyrrolidin-3-yl]ethyl]aniline
CID 172623765
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411
4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 87344835
4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 44520824
1-[4-[5-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)anilino]-2-pyridinyl]piperazin-1-yl]prop-2-en-1-one
CID 172623708
1-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide
CID 164539293
2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 171431506

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 172556651) is 4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is c1nc(N2CCOCC2)c2cc(-c3ccc4[nH]ccc4c3)[nH]c2n1.
What is the InChIKey of 4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is FZSJTWQXSVGWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-2-15-13(3-4-19-15)9-12(1)16-10-14-17(22-16)20-11-21-18(14)23-5-7-24-8-6-23/h1-4,9-11,19H,5-8H2,(H,20,21,22).
What are the key properties of 4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 319.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 172556651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).