6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine

C27H31FN6O2 — CID 25123723

IUPAC6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESFc1cc(-c2nc(N3CCOCC3)c3oc(CN4CCC5(CCNC5)CC4)cc3n2)c2cc[nH]c2c1
InChIInChI=1S/C27H31FN6O2/c28-18-13-21(20-1-5-30-22(20)14-18)25-31-23-15-19(16-33-7-3-27(4-8-33)2-6-29-17-27)36-24(23)26(32-25)34-9-11-35-12-10-34/h1,5,13-15,29-30H,2-4,6-12,16-17H2
InChIKeyKZXJHFROTYAJIK-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.92
Rot. Bonds4

About 6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine

6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (PubChem CID 25123723) has the molecular formula C27H31FN6O2 and a molecular weight of 490.58 g/mol. Its IUPAC name is 6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
PubChem CID25123723
Molecular FormulaC27H31FN6O2
Molecular Weight490.58 g/mol
Exact Mass490.25
IUPAC Name6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESFc1cc(-c2nc(N3CCOCC3)c3oc(CN4CCC5(CCNC5)CC4)cc3n2)c2cc[nH]c2c1
InChIInChI=1S/C27H31FN6O2/c28-18-13-21(20-1-5-30-22(20)14-18)25-31-23-15-19(16-33-7-3-27(4-8-33)2-6-29-17-27)36-24(23)26(32-25)34-9-11-35-12-10-34/h1,5,13-15,29-30H,2-4,6-12,16-17H2
InChIKeyKZXJHFROTYAJIK-UHFFFAOYSA-N
XLogP3.92
TPSA82.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (CID 25123723) is 6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is Fc1cc(-c2nc(N3CCOCC3)c3oc(CN4CCC5(CCNC5)CC4)cc3n2)c2cc[nH]c2c1.
What is the InChIKey of 6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The InChIKey is KZXJHFROTYAJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O2/c28-18-13-21(20-1-5-30-22(20)14-18)25-31-23-15-19(16-33-7-3-27(4-8-33)2-6-29-17-27)36-24(23)26(32-25)34-9-11-35-12-10-34/h1,5,13-15,29-30H,2-4,6-12,16-17H2.
What are the key properties of 6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine has a molecular weight of 490.58 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 25123723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).