1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C25H25FN4O2 — CID 55575397

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc(F)cc1
InChIInChI=1S/C25H25FN4O2/c1-29-12-11-27-24(29)23(17-5-8-20(26)9-6-17)28-25(32)19-14-22(31)30(15-19)21-10-7-16-3-2-4-18(16)13-21/h5-13,19,23H,2-4,14-15H2,1H3,(H,28,32)
InChIKeyZLVPVCZONFFCAK-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.31
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55575397) 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-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55575397
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc(F)cc1
InChIInChI=1S/C25H25FN4O2/c1-29-12-11-27-24(29)23(17-5-8-20(26)9-6-17)28-25(32)19-14-22(31)30(15-19)21-10-7-16-3-2-4-18(16)13-21/h5-13,19,23H,2-4,14-15H2,1H3,(H,28,32)
InChIKeyZLVPVCZONFFCAK-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-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587285
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46588432
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 39490029
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42923282
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51927321
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97194074
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 55575643
(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55491500

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 55575397) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-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-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cn1ccnc1C(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZLVPVCZONFFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-29-12-11-27-24(29)23(17-5-8-20(26)9-6-17)28-25(32)19-14-22(31)30(15-19)21-10-7-16-3-2-4-18(16)13-21/h5-13,19,23H,2-4,14-15H2,1H3,(H,28,32).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-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-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55575397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).