4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine

C28H32FN5OS — CID 70888111

IUPAC4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1cc2c(N3CCOCC3)nc(CN3CCNC4(CCCC4)C3)cc2s1
InChIInChI=1S/C28H32FN5OS/c29-22-3-4-23-20(5-8-30-23)26(22)25-16-21-24(36-25)15-19(32-27(21)34-11-13-35-14-12-34)17-33-10-9-31-28(18-33)6-1-2-7-28/h3-5,8,15-16,30-31H,1-2,6-7,9-14,17-18H2
InChIKeyOTEQIBNVUWSXQC-UHFFFAOYSA-N
MW505.66 g/mol
LogP5.14
Rot. Bonds4

About 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine

4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine (PubChem CID 70888111) has the molecular formula C28H32FN5OS and a molecular weight of 505.66 g/mol. Its IUPAC name is 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine
PubChem CID70888111
Molecular FormulaC28H32FN5OS
Molecular Weight505.66 g/mol
Exact Mass505.23
IUPAC Name4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1cc2c(N3CCOCC3)nc(CN3CCNC4(CCCC4)C3)cc2s1
InChIInChI=1S/C28H32FN5OS/c29-22-3-4-23-20(5-8-30-23)26(22)25-16-21-24(36-25)15-19(32-27(21)34-11-13-35-14-12-34)17-33-10-9-31-28(18-33)6-1-2-7-28/h3-5,8,15-16,30-31H,1-2,6-7,9-14,17-18H2
InChIKeyOTEQIBNVUWSXQC-UHFFFAOYSA-N
XLogP5.14
TPSA56.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine (CID 70888111) is 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine is Fc1ccc2[nH]ccc2c1-c1cc2c(N3CCOCC3)nc(CN3CCNC4(CCCC4)C3)cc2s1.
What is the InChIKey of 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine?
The InChIKey is OTEQIBNVUWSXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5OS/c29-22-3-4-23-20(5-8-30-23)26(22)25-16-21-24(36-25)15-19(32-27(21)34-11-13-35-14-12-34)17-33-10-9-31-28(18-33)6-1-2-7-28/h3-5,8,15-16,30-31H,1-2,6-7,9-14,17-18H2.
What are the key properties of 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine?
4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine has a molecular weight of 505.66 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 70888111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).