6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine

C27H31FN6O2 — CID 69221351

IUPAC6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(C(C3CCN3)N3CCCCC3)cc2n1
InChIInChI=1S/C27H31FN6O2/c28-18-4-5-19-17(6-8-29-19)23(18)26-31-21-16-22(24(20-7-9-30-20)33-10-2-1-3-11-33)36-25(21)27(32-26)34-12-14-35-15-13-34/h4-6,8,16,20,24,29-30H,1-3,7,9-15H2
InChIKeyGAVFTFCGWOSSNF-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.24
Rot. Bonds5

About 6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine

6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (PubChem CID 69221351) has the molecular formula C27H31FN6O2 and a molecular weight of 490.58 g/mol. Its IUPAC name is 6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
PubChem CID69221351
Molecular FormulaC27H31FN6O2
Molecular Weight490.58 g/mol
Exact Mass490.25
IUPAC Name6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(C(C3CCN3)N3CCCCC3)cc2n1
InChIInChI=1S/C27H31FN6O2/c28-18-4-5-19-17(6-8-29-19)23(18)26-31-21-16-22(24(20-7-9-30-20)33-10-2-1-3-11-33)36-25(21)27(32-26)34-12-14-35-15-13-34/h4-6,8,16,20,24,29-30H,1-3,7,9-15H2
InChIKeyGAVFTFCGWOSSNF-UHFFFAOYSA-N
XLogP4.24
TPSA82.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (CID 69221351) is 6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(C(C3CCN3)N3CCCCC3)cc2n1.
What is the InChIKey of 6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The InChIKey is GAVFTFCGWOSSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O2/c28-18-4-5-19-17(6-8-29-19)23(18)26-31-21-16-22(24(20-7-9-30-20)33-10-2-1-3-11-33)36-25(21)27(32-26)34-12-14-35-15-13-34/h4-6,8,16,20,24,29-30H,1-3,7,9-15H2.
What are the key properties of 6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine has a molecular weight of 490.58 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 69221351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).