(4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H28N6O2 — CID 90349544

IUPAC(4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1c(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cnn1C
InChIInChI=1S/C23H28N6O2/c1-14(2)20-13-31-23(30)29(20)21-10-11-24-22(27-21)26-15(3)17-6-8-18(9-7-17)19-12-25-28(5)16(19)4/h6-12,14-15,20H,13H2,1-5H3,(H,24,26,27)/t15-,20+/m0/s1
InChIKeyOBLWMTFYWMJXMH-MGPUTAFESA-N
MW420.52 g/mol
LogP4.34
Rot. Bonds6

About (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90349544) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90349544
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name(4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1c(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cnn1C
InChIInChI=1S/C23H28N6O2/c1-14(2)20-13-31-23(30)29(20)21-10-11-24-22(27-21)26-15(3)17-6-8-18(9-7-17)19-12-25-28(5)16(19)4/h6-12,14-15,20H,13H2,1-5H3,(H,24,26,27)/t15-,20+/m0/s1
InChIKeyOBLWMTFYWMJXMH-MGPUTAFESA-N
XLogP4.34
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Biib-068
CID 118139356
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90415637
(4R)-4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145954559
N-[(5R)-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 118139372
(4s)-3-(2-{[(1s)-1-Phenylethyl]amino}pyrimidin-4-Yl)-4-(Propan-2-Yl)-1,3-Oxazolidin-2-One
CID 89490055
(4R)-3-[2-[[(1S)-1-[1-[4-(difluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 90454349
3-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 118139435
N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-ylpyrrolidine-1-carboxamide
CID 118139808
US10323022, Example 511
CID 71041449
Pyrrolidinyl urea derivative 13
CID 71471488
Pyrrolidinyl urea derivative 11
CID 118128775
(3S)-3-tert-butyl-N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]pyrrolidine-1-carboxamide
CID 166634307

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90349544) is (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1c(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cnn1C.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OBLWMTFYWMJXMH-MGPUTAFESA-N. The full InChI is InChI=1S/C23H28N6O2/c1-14(2)20-13-31-23(30)29(20)21-10-11-24-22(27-21)26-15(3)17-6-8-18(9-7-17)19-12-25-28(5)16(19)4/h6-12,14-15,20H,13H2,1-5H3,(H,24,26,27)/t15-,20+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 420.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90349544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).