(3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H23FN6O — CID 122340576

IUPAC(3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccncc3F)CC2)n1
InChIInChI=1S/C19H23FN6O/c1-14-22-17(24-6-2-3-7-24)12-18(23-14)25-8-10-26(11-9-25)19(27)15-4-5-21-13-16(15)20/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyWGEYYOBQYQKSCP-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.88
Rot. Bonds3

About (3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122340576) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122340576
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name(3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccncc3F)CC2)n1
InChIInChI=1S/C19H23FN6O/c1-14-22-17(24-6-2-3-7-24)12-18(23-14)25-8-10-26(11-9-25)19(27)15-4-5-21-13-16(15)20/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyWGEYYOBQYQKSCP-UHFFFAOYSA-N
XLogP1.88
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-fluoro-4-pyridinyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
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CID 56700346
(3-fluoro-4-pyridinyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342101
(2,5-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699516
(2,4-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699055
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
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(5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748492
(3-methylphenyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70702517
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
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1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone
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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122340576) is (3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccncc3F)CC2)n1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is WGEYYOBQYQKSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-14-22-17(24-6-2-3-7-24)12-18(23-14)25-8-10-26(11-9-25)19(27)15-4-5-21-13-16(15)20/h4-5,12-13H,2-3,6-11H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 370.43 g/mol, XLogP of 1.88, 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-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122340576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).