(4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C25H34N6O2 — CID 71542481

IUPAC(4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNCC34CC4)cc2)n1
InChIInChI=1S/C25H34N6O2/c1-17(2)21-15-33-24(32)31(21)22-8-11-27-23(29-22)28-18(3)20-6-4-19(5-7-20)14-30-13-12-26-16-25(30)9-10-25/h4-8,11,17-18,21,26H,9-10,12-16H2,1-3H3,(H,27,28,29)/t18-,21+/m0/s1
InChIKeyCNIVKZGESGWRFV-GHTZIAJQSA-N
MW450.59 g/mol
LogP3.57
Rot. Bonds7

About (4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 71542481) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)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-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID71542481
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name(4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNCC34CC4)cc2)n1
InChIInChI=1S/C25H34N6O2/c1-17(2)21-15-33-24(32)31(21)22-8-11-27-23(29-22)28-18(3)20-6-4-19(5-7-20)14-30-13-12-26-16-25(30)9-10-25/h4-8,11,17-18,21,26H,9-10,12-16H2,1-3H3,(H,27,28,29)/t18-,21+/m0/s1
InChIKeyCNIVKZGESGWRFV-GHTZIAJQSA-N
XLogP3.57
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)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-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 71542481) is (4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)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-(4,7-diazaspiro[2.5]octan-4-ylmethyl)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-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNCC34CC4)cc2)n1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CNIVKZGESGWRFV-GHTZIAJQSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-17(2)21-15-33-24(32)31(21)22-8-11-27-23(29-22)28-18(3)20-6-4-19(5-7-20)14-30-13-12-26-16-25(30)9-10-25/h4-8,11,17-18,21,26H,9-10,12-16H2,1-3H3,(H,27,28,29)/t18-,21+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 450.59 g/mol, XLogP of 3.57, 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-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71542481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).