8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one

C26H27F2N5O2 — CID 146211574

IUPAC8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(OCCCN4CC(F)(F)C4)c(N)c3)cc21
InChIInChI=1S/C26H27F2N5O2/c1-32-21-13-30-20-5-4-16(10-18(20)22(21)25(24(32)34)6-2-7-25)17-11-19(29)23(31-12-17)35-9-3-8-33-14-26(27,28)15-33/h4-5,10-13H,2-3,6-9,14-15,29H2,1H3
InChIKeyCFZFVSXHPDYRBG-UHFFFAOYSA-N
MW479.53 g/mol
LogP4.00
Rot. Bonds6

About 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one

8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146211574) has the molecular formula C26H27F2N5O2 and a molecular weight of 479.53 g/mol. Its IUPAC name is 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID146211574
Molecular FormulaC26H27F2N5O2
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(OCCCN4CC(F)(F)C4)c(N)c3)cc21
InChIInChI=1S/C26H27F2N5O2/c1-32-21-13-30-20-5-4-16(10-18(20)22(21)25(24(32)34)6-2-7-25)17-11-19(29)23(31-12-17)35-9-3-8-33-14-26(27,28)15-33/h4-5,10-13H,2-3,6-9,14-15,29H2,1H3
InChIKeyCFZFVSXHPDYRBG-UHFFFAOYSA-N
XLogP4.00
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one 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 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146211574) is 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is CN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(OCCCN4CC(F)(F)C4)c(N)c3)cc21.
What is the InChIKey of 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is CFZFVSXHPDYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O2/c1-32-21-13-30-20-5-4-16(10-18(20)22(21)25(24(32)34)6-2-7-25)17-11-19(29)23(31-12-17)35-9-3-8-33-14-26(27,28)15-33/h4-5,10-13H,2-3,6-9,14-15,29H2,1H3.
What are the key properties of 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 479.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-[5-amino-6-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146211574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).