N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

C19H19FN6O — CID 122341861

IUPACN-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1
InChIInChI=1S/C19H19FN6O/c20-15-3-5-16(6-4-15)23-19(27)26-11-9-25(10-12-26)18-13-17(21-14-22-18)24-7-1-2-8-24/h1-8,13-14H,9-12H2,(H,23,27)
InChIKeyLLNQBKMDUIAJBG-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.76
Rot. Bonds3

About N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 122341861) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID122341861
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1
InChIInChI=1S/C19H19FN6O/c20-15-3-5-16(6-4-15)23-19(27)26-11-9-25(10-12-26)18-13-17(21-14-22-18)24-7-1-2-8-24/h1-8,13-14H,9-12H2,(H,23,27)
InChIKeyLLNQBKMDUIAJBG-UHFFFAOYSA-N
XLogP2.76
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341881
N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001582
N-(4-methylphenyl)-4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122342274
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
N-(5-chloro-2-methoxyphenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341864
N-(3-fluoro-4-methylphenyl)-4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56922523
N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122341455
N-[3-(difluoromethoxy)phenyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122337180
(3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342101
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56699420
N-(3-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50946576
(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342182

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 122341861) is N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is LLNQBKMDUIAJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-15-3-5-16(6-4-15)23-19(27)26-11-9-25(10-12-26)18-13-17(21-14-22-18)24-7-1-2-8-24/h1-8,13-14H,9-12H2,(H,23,27).
What are the key properties of N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122341861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).