1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C25H25FN4O2 — CID 46588432

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccc(F)c1
InChIInChI=1S/C25H25FN4O2/c1-29-11-10-27-24(29)23(18-6-3-7-20(26)12-18)28-25(32)19-14-22(31)30(15-19)21-9-8-16-4-2-5-17(16)13-21/h3,6-13,19,23H,2,4-5,14-15H2,1H3,(H,28,32)
InChIKeyGGEXBYSSYWHPGQ-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.31
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46588432) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46588432
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccc(F)c1
InChIInChI=1S/C25H25FN4O2/c1-29-11-10-27-24(29)23(18-6-3-7-20(26)12-18)28-25(32)19-14-22(31)30(15-19)21-9-8-16-4-2-5-17(16)13-21/h3,6-13,19,23H,2,4-5,14-15H2,1H3,(H,28,32)
InChIKeyGGEXBYSSYWHPGQ-UHFFFAOYSA-N
XLogP3.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55575397
1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587285
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27900176
3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119837332
(2R)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 31503253
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42923282
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 95134781
1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 94149785
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 55453673
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 46588432) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cn1ccnc1C(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccc(F)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GGEXBYSSYWHPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-29-11-10-27-24(29)23(18-6-3-7-20(26)12-18)28-25(32)19-14-22(31)30(15-19)21-9-8-16-4-2-5-17(16)13-21/h3,6-13,19,23H,2,4-5,14-15H2,1H3,(H,28,32).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46588432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).