[6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone

C33H30FN5O3 — CID 171684638

IUPAC[6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC3(CC2)CN(C(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)c2ccc(F)cc23)cn1
InChIInChI=1S/C33H30FN5O3/c1-37(2)30-11-8-22(19-35-30)31(40)38-14-12-33(13-15-38)20-39(27-10-9-23(34)16-24(27)33)32(41)26-18-29-25(36-26)17-28(42-29)21-6-4-3-5-7-21/h3-11,16-19,36H,12-15,20H2,1-2H3
InChIKeyHWESGBZIWUQICJ-UHFFFAOYSA-N
MW563.63 g/mol
LogP5.86
Rot. Bonds4

About [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone

[6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone (PubChem CID 171684638) has the molecular formula C33H30FN5O3 and a molecular weight of 563.63 g/mol. Its IUPAC name is [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone
PubChem CID171684638
Molecular FormulaC33H30FN5O3
Molecular Weight563.63 g/mol
Exact Mass563.23
IUPAC Name[6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC3(CC2)CN(C(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)c2ccc(F)cc23)cn1
InChIInChI=1S/C33H30FN5O3/c1-37(2)30-11-8-22(19-35-30)31(40)38-14-12-33(13-15-38)20-39(27-10-9-23(34)16-24(27)33)32(41)26-18-29-25(36-26)17-28(42-29)21-6-4-3-5-7-21/h3-11,16-19,36H,12-15,20H2,1-2H3
InChIKeyHWESGBZIWUQICJ-UHFFFAOYSA-N
XLogP5.86
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.63
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone with MolForge

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Related Compounds

1-[7-(1,3-benzoxazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507819
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[5-(methylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280219
[4-[(3-ethoxy-2-pyridyl)-methyl-amino]-1-piperidyl]-(1H-indol-2-yl)methanone
CID 468316
(S)-5-(6-(6-Aminopyridin-3-yl)-5-methylfuro[3,2-b]pyridin-2-yl)-5-((7-fluoro-6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 58053693
N-[4-fluoro-3-(2-morpholin-4-ylfuro[2,3-b]pyrazin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 168271535
2-((1H-indol-3-yl)methyl)-9-(benzo[d]oxazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 53259468
9-furo[3,2-c]pyridin-4-yl-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 53259815
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 90683889
(2S,4R)-1-(2-(3-acetyl-5-(pyrimidin-5-ylamino)-1H-indol-1-yl)acetyl)-N-(5-(benzyloxy)pyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 118322648
[4-(3-benzyloxy-2-pyridyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 468311
1-(5-Methylfuran-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141737659
1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione
CID 5279740

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone?
The IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone (CID 171684638) is [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone is CN(C)c1ccc(C(=O)N2CCC3(CC2)CN(C(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)c2ccc(F)cc23)cn1.
What is the InChIKey of [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone?
The InChIKey is HWESGBZIWUQICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN5O3/c1-37(2)30-11-8-22(19-35-30)31(40)38-14-12-33(13-15-38)20-39(27-10-9-23(34)16-24(27)33)32(41)26-18-29-25(36-26)17-28(42-29)21-6-4-3-5-7-21/h3-11,16-19,36H,12-15,20H2,1-2H3.
What are the key properties of [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone?
[6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone has a molecular weight of 563.63 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-3-pyridinyl]-[5-fluoro-1-(2-phenyl-4H-furo[3,2-b]pyrrole-5-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 171684638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).