6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine

C24H25FN6O2 — CID 71044774

IUPAC6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESFc1cc(-c2nc(N3CCOCC3)c3oc(CN4C[C@@H]5C[C@H]4CN5)cc3n2)c2cc[nH]c2c1
InChIInChI=1S/C24H25FN6O2/c25-14-7-19(18-1-2-26-20(18)8-14)23-28-21-10-17(13-31-12-15-9-16(31)11-27-15)33-22(21)24(29-23)30-3-5-32-6-4-30/h1-2,7-8,10,15-16,26-27H,3-6,9,11-13H2/t15-,16-/m0/s1
InChIKeyWTQDESSODFXCDS-HOTGVXAUSA-N
MW448.50 g/mol
LogP2.89
Rot. Bonds4

About 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine

6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (PubChem CID 71044774) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
PubChem CID71044774
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESFc1cc(-c2nc(N3CCOCC3)c3oc(CN4C[C@@H]5C[C@H]4CN5)cc3n2)c2cc[nH]c2c1
InChIInChI=1S/C24H25FN6O2/c25-14-7-19(18-1-2-26-20(18)8-14)23-28-21-10-17(13-31-12-15-9-16(31)11-27-15)33-22(21)24(29-23)30-3-5-32-6-4-30/h1-2,7-8,10,15-16,26-27H,3-6,9,11-13H2/t15-,16-/m0/s1
InChIKeyWTQDESSODFXCDS-HOTGVXAUSA-N
XLogP2.89
TPSA82.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (CID 71044774) is 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is Fc1cc(-c2nc(N3CCOCC3)c3oc(CN4C[C@@H]5C[C@H]4CN5)cc3n2)c2cc[nH]c2c1.
What is the InChIKey of 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The InChIKey is WTQDESSODFXCDS-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H25FN6O2/c25-14-7-19(18-1-2-26-20(18)8-14)23-28-21-10-17(13-31-12-15-9-16(31)11-27-15)33-22(21)24(29-23)30-3-5-32-6-4-30/h1-2,7-8,10,15-16,26-27H,3-6,9,11-13H2/t15-,16-/m0/s1.
What are the key properties of 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine has a molecular weight of 448.50 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 71044774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).