9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

C25H26N4O2 — CID 53259815

IUPAC9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc3occc13)CC2
InChIInChI=1S/C25H26N4O2/c30-24-25(8-3-12-29(24)17-18-16-27-21-5-2-1-4-19(18)21)9-13-28(14-10-25)23-20-7-15-31-22(20)6-11-26-23/h1-2,4-7,11,15-16,27H,3,8-10,12-14,17H2
InChIKeyXLIKROKXPPGMKW-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.72
Rot. Bonds3

About 9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 53259815) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID53259815
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc3occc13)CC2
InChIInChI=1S/C25H26N4O2/c30-24-25(8-3-12-29(24)17-18-16-27-21-5-2-1-4-19(18)21)9-13-28(14-10-25)23-20-7-15-31-22(20)6-11-26-23/h1-2,4-7,11,15-16,27H,3,8-10,12-14,17H2
InChIKeyXLIKROKXPPGMKW-UHFFFAOYSA-N
XLogP4.72
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 53259815) is 9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc3occc13)CC2.
What is the InChIKey of 9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is XLIKROKXPPGMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24-25(8-3-12-29(24)17-18-16-27-21-5-2-1-4-19(18)21)9-13-28(14-10-25)23-20-7-15-31-22(20)6-11-26-23/h1-2,4-7,11,15-16,27H,3,8-10,12-14,17H2.
What are the key properties of 9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 414.51 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 53259815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).