(3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C18H17FN6O — CID 122342101

IUPAC(3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCN(c2cc(-n3cccc3)ncn2)CC1
InChIInChI=1S/C18H17FN6O/c19-15-12-20-4-3-14(15)18(26)25-9-7-24(8-10-25)17-11-16(21-13-22-17)23-5-1-2-6-23/h1-6,11-13H,7-10H2
InChIKeyYAOLGFTZVYYHEQ-UHFFFAOYSA-N
MW352.37 g/mol
LogP1.76
Rot. Bonds3

About (3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122342101) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122342101
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name(3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCN(c2cc(-n3cccc3)ncn2)CC1
InChIInChI=1S/C18H17FN6O/c19-15-12-20-4-3-14(15)18(26)25-9-7-24(8-10-25)17-11-16(21-13-22-17)23-5-1-2-6-23/h1-6,11-13H,7-10H2
InChIKeyYAOLGFTZVYYHEQ-UHFFFAOYSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-iodophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342183
(3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340576
(3-fluoro-4-pyridinyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338611
(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342182
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
(2-fluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626449
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341994
(3-iodophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342185
N-(3-chloro-4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341881
N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341861
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122341955

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122342101) is (3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1ccncc1F)N1CCN(c2cc(-n3cccc3)ncn2)CC1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is YAOLGFTZVYYHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-15-12-20-4-3-14(15)18(26)25-9-7-24(8-10-25)17-11-16(21-13-22-17)23-5-1-2-6-23/h1-6,11-13H,7-10H2.
What are the key properties of (3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 352.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122342101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).