N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide

C23H20F3N5O3 — CID 57398710

IUPACN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H20F3N5O3/c24-23(25,26)34-15-3-1-2-14(8-15)20(32)31-18-9-13(4-6-28-18)17-10-16-19(30-17)22(5-7-27-11-22)12-29-21(16)33/h1-4,6,8-10,27,30H,5,7,11-12H2,(H,29,33)(H,28,31,32)
InChIKeyFTVRHNVXLBYVGQ-UHFFFAOYSA-N
MW471.44 g/mol
LogP3.20
Rot. Bonds4

About N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide

N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide (PubChem CID 57398710) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide
PubChem CID57398710
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC NameN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H20F3N5O3/c24-23(25,26)34-15-3-1-2-14(8-15)20(32)31-18-9-13(4-6-28-18)17-10-16-19(30-17)22(5-7-27-11-22)12-29-21(16)33/h1-4,6,8-10,27,30H,5,7,11-12H2,(H,29,33)(H,28,31,32)
InChIKeyFTVRHNVXLBYVGQ-UHFFFAOYSA-N
XLogP3.20
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide (CID 57398710) is N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is FTVRHNVXLBYVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c24-23(25,26)34-15-3-1-2-14(8-15)20(32)31-18-9-13(4-6-28-18)17-10-16-19(30-17)22(5-7-27-11-22)12-29-21(16)33/h1-4,6,8-10,27,30H,5,7,11-12H2,(H,29,33)(H,28,31,32).
What are the key properties of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide?
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 471.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 57398710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).