4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

C20H25FN6O — CID 53184332

IUPAC4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCC1CN2C=NC(N3CCN(C(=O)NCc4ccc(F)cc4)CC3)=CC2=N1
InChIInChI=1S/C20H25FN6O/c1-2-17-13-27-14-23-18(11-19(27)24-17)25-7-9-26(10-8-25)20(28)22-12-15-3-5-16(21)6-4-15/h3-6,11,14,17H,2,7-10,12-13H2,1H3,(H,22,28)
InChIKeyZARCHLZIBGHKDW-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.03
Rot. Bonds4

About 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 53184332) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID53184332
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCC1CN2C=NC(N3CCN(C(=O)NCc4ccc(F)cc4)CC3)=CC2=N1
InChIInChI=1S/C20H25FN6O/c1-2-17-13-27-14-23-18(11-19(27)24-17)25-7-9-26(10-8-25)20(28)22-12-15-3-5-16(21)6-4-15/h3-6,11,14,17H,2,7-10,12-13H2,1H3,(H,22,28)
InChIKeyZARCHLZIBGHKDW-UHFFFAOYSA-N
XLogP2.03
TPSA63.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8R)-8-ethyl-4-methyl-2-phenyl-3a,7,8,9b-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 168274222
4-Benzylimino-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 146364023
4-[(3-Fluorophenyl)methylimino]-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 139421242
4-[(4-Fluorophenyl)methylimino]-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 139421326
4-[(2-Fluorophenyl)methylimino]-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 139421352
1,9-Dibenzyl-6-propan-2-ylpurin-2-one
CID 44368666
1,9-Dibenzylpurin-2-one
CID 44368985
"4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide"
CID 53184234
4-{3-Methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53184236
N-[(3-Fluorophenyl)methyl]-4-{3-methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}piperazine-1-carboxamide
CID 53184244
4-{3-Methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53184250
4-{2-Methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53184261

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 53184332) is 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is CCC1CN2C=NC(N3CCN(C(=O)NCc4ccc(F)cc4)CC3)=CC2=N1.
What is the InChIKey of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is ZARCHLZIBGHKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-2-17-13-27-14-23-18(11-19(27)24-17)25-7-9-26(10-8-25)20(28)22-12-15-3-5-16(21)6-4-15/h3-6,11,14,17H,2,7-10,12-13H2,1H3,(H,22,28).
What are the key properties of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53184332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).