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

C22H20FN5O2 — CID 57395186

IUPAC3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1cccc(F)c1
InChIInChI=1S/C22H20FN5O2/c23-15-3-1-2-14(8-15)20(29)28-18-9-13(4-6-25-18)17-10-16-19(27-17)22(5-7-24-11-22)12-26-21(16)30/h1-4,6,8-10,24,27H,5,7,11-12H2,(H,26,30)(H,25,28,29)
InChIKeyVZMUGQWLTZKXEN-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.44
Rot. Bonds3

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

3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide (PubChem CID 57395186) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide
PubChem CID57395186
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1cccc(F)c1
InChIInChI=1S/C22H20FN5O2/c23-15-3-1-2-14(8-15)20(29)28-18-9-13(4-6-25-18)17-10-16-19(27-17)22(5-7-24-11-22)12-26-21(16)30/h1-4,6,8-10,24,27H,5,7,11-12H2,(H,26,30)(H,25,28,29)
InChIKeyVZMUGQWLTZKXEN-UHFFFAOYSA-N
XLogP2.44
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide
CID 56835141
3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]benzamide
CID 57403941
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide
CID 57393462
methane;4-(4-methylpiperazin-1-yl)-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide
CID 160689364
N-[2-methyl-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-pyridinyl]prop-2-enamide
CID 86302142
2-[2-(6-piperazin-1-yl-3-pyridinyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 166461394
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide
CID 146571657
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 53246831
(E)-3-[2-[(3-fluorobenzoyl)amino]-4-pyridinyl]prop-2-enoic acid
CID 102822099
2-[2-(4-phenoxyphenyl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 53246829

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide (CID 57395186) is 3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide is O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide?
The InChIKey is VZMUGQWLTZKXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-15-3-1-2-14(8-15)20(29)28-18-9-13(4-6-25-18)17-10-16-19(27-17)22(5-7-24-11-22)12-26-21(16)30/h1-4,6,8-10,24,27H,5,7,11-12H2,(H,26,30)(H,25,28,29).
What are the key properties of 3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide?
3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide has a molecular weight of 405.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 57395186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).