4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

C25H28FN7OS — CID 25127362

IUPAC4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CC4(CCNCC4)C3)sc2n1
InChIInChI=1S/C25H28FN7OS/c26-17-1-2-18-16(3-6-28-18)20(17)22-30-23(33-9-11-34-12-10-33)21-24(31-22)35-19(29-21)13-32-14-25(15-32)4-7-27-8-5-25/h1-3,6,27-28H,4-5,7-15H2
InChIKeyQRVNSGBAIJIFKR-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.40
Rot. Bonds4

About 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (PubChem CID 25127362) has the molecular formula C25H28FN7OS and a molecular weight of 493.61 g/mol. Its IUPAC name is 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
PubChem CID25127362
Molecular FormulaC25H28FN7OS
Molecular Weight493.61 g/mol
Exact Mass493.21
IUPAC Name4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CC4(CCNCC4)C3)sc2n1
InChIInChI=1S/C25H28FN7OS/c26-17-1-2-18-16(3-6-28-18)20(17)22-30-23(33-9-11-34-12-10-33)21-24(31-22)35-19(29-21)13-32-14-25(15-32)4-7-27-8-5-25/h1-3,6,27-28H,4-5,7-15H2
InChIKeyQRVNSGBAIJIFKR-UHFFFAOYSA-N
XLogP3.40
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (CID 25127362) is 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CC4(CCNCC4)C3)sc2n1.
What is the InChIKey of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The InChIKey is QRVNSGBAIJIFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7OS/c26-17-1-2-18-16(3-6-28-18)20(17)22-30-23(33-9-11-34-12-10-33)21-24(31-22)35-19(29-21)13-32-14-25(15-32)4-7-27-8-5-25/h1-3,6,27-28H,4-5,7-15H2.
What are the key properties of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine has a molecular weight of 493.61 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 25127362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).