[1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone

C23H26FN7O2 — CID 172581390

IUPAC[1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1ccc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(-c4ccnn4C)n3)CC2)cn1
InChIInChI=1S/C23H26FN7O2/c1-15-3-4-17(13-25-15)19-8-12-33-31(19)22(32)16-6-10-30(11-7-16)23-26-14-18(24)21(28-23)20-5-9-27-29(20)2/h3-5,9,13-14,16,19H,6-8,10-12H2,1-2H3/t19-/m0/s1
InChIKeyCNBBEZVIBSIZKK-IBGZPJMESA-N
MW451.51 g/mol
LogP2.84
Rot. Bonds4

About [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone

[1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone (PubChem CID 172581390) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name[1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
PubChem CID172581390
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name[1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1ccc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(-c4ccnn4C)n3)CC2)cn1
InChIInChI=1S/C23H26FN7O2/c1-15-3-4-17(13-25-15)19-8-12-33-31(19)22(32)16-6-10-30(11-7-16)23-26-14-18(24)21(28-23)20-5-9-27-29(20)2/h3-5,9,13-14,16,19H,6-8,10-12H2,1-2H3/t19-/m0/s1
InChIKeyCNBBEZVIBSIZKK-IBGZPJMESA-N
XLogP2.84
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone with MolForge

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Related Compounds

US20240360157, Example 106
CID 164572830
US11897876, Example 6
CID 168823426
US11897876, Example 3
CID 168823434
US11897876, Example 4
CID 168823437
US11897876, Example 5
CID 168823448
US11897876, Example 12
CID 168823462
US11897876, Example 15
CID 170776249
5-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-4-one
CID 172581482
3-[4-(4-Methylpiperazin-1-yl)-2-pyridinyl]-5-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 132345715
5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 164633304
2-[5-[(4-Fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 24889657
1-[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2-pyrimidin-2-ylethanone
CID 67972196

Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone (CID 172581390) is [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone is Cc1ccc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(-c4ccnn4C)n3)CC2)cn1.
What is the InChIKey of [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
The InChIKey is CNBBEZVIBSIZKK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-15-3-4-17(13-25-15)19-8-12-33-31(19)22(32)16-6-10-30(11-7-16)23-26-14-18(24)21(28-23)20-5-9-27-29(20)2/h3-5,9,13-14,16,19H,6-8,10-12H2,1-2H3/t19-/m0/s1.
What are the key properties of [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
[1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone has a molecular weight of 451.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 172581390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).