6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine

C25H27FN6O2 — CID 25123721

IUPAC6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(CN3CC4CCC(C3)N4)cc2n1
InChIInChI=1S/C25H27FN6O2/c26-19-3-4-20-18(5-6-27-20)22(19)24-29-21-11-17(14-31-12-15-1-2-16(13-31)28-15)34-23(21)25(30-24)32-7-9-33-10-8-32/h3-6,11,15-16,27-28H,1-2,7-10,12-14H2
InChIKeyPNLIYAOMHKOADL-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.28
Rot. Bonds4

About 6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine

6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (PubChem CID 25123721) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
PubChem CID25123721
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(CN3CC4CCC(C3)N4)cc2n1
InChIInChI=1S/C25H27FN6O2/c26-19-3-4-20-18(5-6-27-20)22(19)24-29-21-11-17(14-31-12-15-1-2-16(13-31)28-15)34-23(21)25(30-24)32-7-9-33-10-8-32/h3-6,11,15-16,27-28H,1-2,7-10,12-14H2
InChIKeyPNLIYAOMHKOADL-UHFFFAOYSA-N
XLogP3.28
TPSA82.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-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-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (CID 25123721) is 6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(CN3CC4CCC(C3)N4)cc2n1.
What is the InChIKey of 6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The InChIKey is PNLIYAOMHKOADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c26-19-3-4-20-18(5-6-27-20)22(19)24-29-21-11-17(14-31-12-15-1-2-16(13-31)28-15)34-23(21)25(30-24)32-7-9-33-10-8-32/h3-6,11,15-16,27-28H,1-2,7-10,12-14H2.
What are the key properties of 6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine has a molecular weight of 462.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 25123721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).