8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one

C29H37F3N4O2 — CID 75181321

IUPAC8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1CCCN1C1CCN(c2ccc(N3CCC4(CCN(Cc5ccco5)CC4)C3=O)c(C(F)(F)F)c2)C1
InChIInChI=1S/C29H37F3N4O2/c1-21-4-2-12-35(21)23-8-13-34(19-23)22-6-7-26(25(18-22)29(30,31)32)36-16-11-28(27(36)37)9-14-33(15-10-28)20-24-5-3-17-38-24/h3,5-7,17-18,21,23H,2,4,8-16,19-20H2,1H3
InChIKeySAKZWHDDNTUCCS-UHFFFAOYSA-N
MW530.64 g/mol
LogP5.38
Rot. Bonds5

About 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one

8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 75181321) has the molecular formula C29H37F3N4O2 and a molecular weight of 530.64 g/mol. Its IUPAC name is 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID75181321
Molecular FormulaC29H37F3N4O2
Molecular Weight530.64 g/mol
Exact Mass530.29
IUPAC Name8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1CCCN1C1CCN(c2ccc(N3CCC4(CCN(Cc5ccco5)CC4)C3=O)c(C(F)(F)F)c2)C1
InChIInChI=1S/C29H37F3N4O2/c1-21-4-2-12-35(21)23-8-13-34(19-23)22-6-7-26(25(18-22)29(30,31)32)36-16-11-28(27(36)37)9-14-33(15-10-28)20-24-5-3-17-38-24/h3,5-7,17-18,21,23H,2,4,8-16,19-20H2,1H3
InChIKeySAKZWHDDNTUCCS-UHFFFAOYSA-N
XLogP5.38
TPSA43.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.64
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 75181321) is 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one is CC1CCCN1C1CCN(c2ccc(N3CCC4(CCN(Cc5ccco5)CC4)C3=O)c(C(F)(F)F)c2)C1.
What is the InChIKey of 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SAKZWHDDNTUCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F3N4O2/c1-21-4-2-12-35(21)23-8-13-34(19-23)22-6-7-26(25(18-22)29(30,31)32)36-16-11-28(27(36)37)9-14-33(15-10-28)20-24-5-3-17-38-24/h3,5-7,17-18,21,23H,2,4,8-16,19-20H2,1H3.
What are the key properties of 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 530.64 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-ylmethyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 75181321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).