(4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one

C25H33FN6O2 — CID 118716665

IUPAC(4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@]2(C)C2CC2)n1)c1ccc(CN2CCC(N)CC2)c(F)c1
InChIInChI=1S/C25H33FN6O2/c1-16(17-3-4-18(21(26)13-17)14-31-11-8-20(27)9-12-31)29-23-28-10-7-22(30-23)32-24(33)34-15-25(32,2)19-5-6-19/h3-4,7,10,13,16,19-20H,5-6,8-9,11-12,14-15,27H2,1-2H3,(H,28,29,30)/t16-,25+/m0/s1
InChIKeyCFXVZZKUNLNHGU-IVCQMTBJSA-N
MW468.58 g/mol
LogP3.84
Rot. Bonds7

About (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one (PubChem CID 118716665) has the molecular formula C25H33FN6O2 and a molecular weight of 468.58 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
PubChem CID118716665
Molecular FormulaC25H33FN6O2
Molecular Weight468.58 g/mol
Exact Mass468.26
IUPAC Name(4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@]2(C)C2CC2)n1)c1ccc(CN2CCC(N)CC2)c(F)c1
InChIInChI=1S/C25H33FN6O2/c1-16(17-3-4-18(21(26)13-17)14-31-11-8-20(27)9-12-31)29-23-28-10-7-22(30-23)32-24(33)34-15-25(32,2)19-5-6-19/h3-4,7,10,13,16,19-20H,5-6,8-9,11-12,14-15,27H2,1-2H3,(H,28,29,30)/t16-,25+/m0/s1
InChIKeyCFXVZZKUNLNHGU-IVCQMTBJSA-N
XLogP3.84
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one (CID 118716665) is (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@]2(C)C2CC2)n1)c1ccc(CN2CCC(N)CC2)c(F)c1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is CFXVZZKUNLNHGU-IVCQMTBJSA-N. The full InChI is InChI=1S/C25H33FN6O2/c1-16(17-3-4-18(21(26)13-17)14-31-11-8-20(27)9-12-31)29-23-28-10-7-22(30-23)32-24(33)34-15-25(32,2)19-5-6-19/h3-4,7,10,13,16,19-20H,5-6,8-9,11-12,14-15,27H2,1-2H3,(H,28,29,30)/t16-,25+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 468.58 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-[4-[(4-aminopiperidin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118716665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).