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

C26H29FN6O2 — CID 25123720

IUPAC6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESFc1cc(-c2nc(N3CCOCC3)c3oc(CN4CC5(CCNCC5)C4)cc3n2)c2cc[nH]c2c1
InChIInChI=1S/C26H29FN6O2/c27-17-11-20(19-1-4-29-21(19)12-17)24-30-22-13-18(14-32-15-26(16-32)2-5-28-6-3-26)35-23(22)25(31-24)33-7-9-34-10-8-33/h1,4,11-13,28-29H,2-3,5-10,14-16H2
InChIKeyLIKVOCPEEYLIJG-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.53
Rot. Bonds4

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

6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (PubChem CID 25123720) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
PubChem CID25123720
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESFc1cc(-c2nc(N3CCOCC3)c3oc(CN4CC5(CCNCC5)C4)cc3n2)c2cc[nH]c2c1
InChIInChI=1S/C26H29FN6O2/c27-17-11-20(19-1-4-29-21(19)12-17)24-30-22-13-18(14-32-15-26(16-32)2-5-28-6-3-26)35-23(22)25(31-24)33-7-9-34-10-8-33/h1,4,11-13,28-29H,2-3,5-10,14-16H2
InChIKeyLIKVOCPEEYLIJG-UHFFFAOYSA-N
XLogP3.53
TPSA82.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (CID 25123720) is 6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is Fc1cc(-c2nc(N3CCOCC3)c3oc(CN4CC5(CCNCC5)C4)cc3n2)c2cc[nH]c2c1.
What is the InChIKey of 6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The InChIKey is LIKVOCPEEYLIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c27-17-11-20(19-1-4-29-21(19)12-17)24-30-22-13-18(14-32-15-26(16-32)2-5-28-6-3-26)35-23(22)25(31-24)33-7-9-34-10-8-33/h1,4,11-13,28-29H,2-3,5-10,14-16H2.
What are the key properties of 6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine has a molecular weight of 476.56 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 25123720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).