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

C19H23FN6O — CID 53184244

IUPACN-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCC1CN=C2C=C(N3CCN(C(=O)NCc4cccc(F)c4)CC3)N=CN21
InChIInChI=1S/C19H23FN6O/c1-14-11-21-18-10-17(23-13-26(14)18)24-5-7-25(8-6-24)19(27)22-12-15-3-2-4-16(20)9-15/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,22,27)
InChIKeyWTIJIRAHFUHNNK-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.64
Rot. Bonds3

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

N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide (PubChem CID 53184244) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
PubChem CID53184244
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCC1CN=C2C=C(N3CCN(C(=O)NCc4cccc(F)c4)CC3)N=CN21
InChIInChI=1S/C19H23FN6O/c1-14-11-21-18-10-17(23-13-26(14)18)24-5-7-25(8-6-24)19(27)22-12-15-3-2-4-16(20)9-15/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,22,27)
InChIKeyWTIJIRAHFUHNNK-UHFFFAOYSA-N
XLogP1.64
TPSA63.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.64
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
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
4-{2-Methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53184263

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide (CID 53184244) is N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide is CC1CN=C2C=C(N3CCN(C(=O)NCc4cccc(F)c4)CC3)N=CN21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
The InChIKey is WTIJIRAHFUHNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-14-11-21-18-10-17(23-13-26(14)18)24-5-7-25(8-6-24)19(27)22-12-15-3-2-4-16(20)9-15/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,22,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53184244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).