2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine

C27H31FN6O2 — CID 25124363

IUPAC2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESCN1CCC2(CC1)CN(Cc1cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3o1)C2
InChIInChI=1S/C27H31FN6O2/c1-32-8-5-27(6-9-32)16-33(17-27)15-18-14-22-24(36-18)26(34-10-12-35-13-11-34)31-25(30-22)23-19-4-7-29-21(19)3-2-20(23)28/h2-4,7,14,29H,5-6,8-13,15-17H2,1H3
InChIKeyNEPFFVGAPOLOSL-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.87
Rot. Bonds4

About 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine

2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine (PubChem CID 25124363) has the molecular formula C27H31FN6O2 and a molecular weight of 490.58 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
PubChem CID25124363
Molecular FormulaC27H31FN6O2
Molecular Weight490.58 g/mol
Exact Mass490.25
IUPAC Name2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESCN1CCC2(CC1)CN(Cc1cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3o1)C2
InChIInChI=1S/C27H31FN6O2/c1-32-8-5-27(6-9-32)16-33(17-27)15-18-14-22-24(36-18)26(34-10-12-35-13-11-34)31-25(30-22)23-19-4-7-29-21(19)3-2-20(23)28/h2-4,7,14,29H,5-6,8-13,15-17H2,1H3
InChIKeyNEPFFVGAPOLOSL-UHFFFAOYSA-N
XLogP3.87
TPSA73.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine (CID 25124363) is 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine is CN1CCC2(CC1)CN(Cc1cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3o1)C2.
What is the InChIKey of 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The InChIKey is NEPFFVGAPOLOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O2/c1-32-8-5-27(6-9-32)16-33(17-27)15-18-14-22-24(36-18)26(34-10-12-35-13-11-34)31-25(30-22)23-19-4-7-29-21(19)3-2-20(23)28/h2-4,7,14,29H,5-6,8-13,15-17H2,1H3.
What are the key properties of 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine has a molecular weight of 490.58 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 25124363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).