N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

C18H16FN5O2 — CID 56909109

IUPACN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)c1cn2cccnc2n1
InChIInChI=1S/C18H16FN5O2/c19-13-4-1-3-12(7-13)9-24-10-14(8-16(24)25)21-17(26)15-11-23-6-2-5-20-18(23)22-15/h1-7,11,14H,8-10H2,(H,21,26)
InChIKeyJKVZYFIEFIQPLJ-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.40
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 56909109) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID56909109
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)c1cn2cccnc2n1
InChIInChI=1S/C18H16FN5O2/c19-13-4-1-3-12(7-13)9-24-10-14(8-16(24)25)21-17(26)15-11-23-6-2-5-20-18(23)22-15/h1-7,11,14H,8-10H2,(H,21,26)
InChIKeyJKVZYFIEFIQPLJ-UHFFFAOYSA-N
XLogP1.40
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 42526825
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide
CID 42240654
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 26401895
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45248913
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 42292675
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 42094331
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
CID 42307840
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 26395765
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 56909109) is N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)c1cn2cccnc2n1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is JKVZYFIEFIQPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-13-4-1-3-12(7-13)9-24-10-14(8-16(24)25)21-17(26)15-11-23-6-2-5-20-18(23)22-15/h1-7,11,14H,8-10H2,(H,21,26).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 56909109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).