1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine

C24H31F2N3OS — CID 175883577

IUPAC1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine
SMILESNC(Cc1sccc1N1CC(F)(F)C1)CC1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C24H31F2N3OS/c25-24(26)16-29(17-24)19-6-12-31-20(19)13-18(27)14-22(21-5-1-4-10-28-21)9-11-30-23(15-22)7-2-3-8-23/h1,4-6,10,12,18H,2-3,7-9,11,13-17,27H2
InChIKeyHRMKMRMCTUQCGU-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.92
Rot. Bonds6

About 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine

1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine (PubChem CID 175883577) has the molecular formula C24H31F2N3OS and a molecular weight of 447.60 g/mol. Its IUPAC name is 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine.

Molecular Properties

Compound Name1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine
PubChem CID175883577
Molecular FormulaC24H31F2N3OS
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC Name1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine
SMILESNC(Cc1sccc1N1CC(F)(F)C1)CC1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C24H31F2N3OS/c25-24(26)16-29(17-24)19-6-12-31-20(19)13-18(27)14-22(21-5-1-4-10-28-21)9-11-30-23(15-22)7-2-3-8-23/h1,4-6,10,12,18H,2-3,7-9,11,13-17,27H2
InChIKeyHRMKMRMCTUQCGU-UHFFFAOYSA-N
XLogP4.92
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The IUPAC name of 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine (CID 175883577) is 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine.
What is the SMILES notation for 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The canonical SMILES for 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine is NC(Cc1sccc1N1CC(F)(F)C1)CC1(c2ccccn2)CCOC2(CCCC2)C1.
What is the InChIKey of 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The InChIKey is HRMKMRMCTUQCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3OS/c25-24(26)16-29(17-24)19-6-12-31-20(19)13-18(27)14-22(21-5-1-4-10-28-21)9-11-30-23(15-22)7-2-3-8-23/h1,4-6,10,12,18H,2-3,7-9,11,13-17,27H2.
What are the key properties of 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine has a molecular weight of 447.60 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-difluoroazetidin-1-yl)thiophen-2-yl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine is sourced from PubChem (CID 175883577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).