(4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C22H23ClN8O2 — CID 130356771

IUPAC(4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(-c3ccc(Cl)cc3)cn2)nc2[nH]ncc12
InChIInChI=1S/C22H23ClN8O2/c1-12(2)18-10-33-22(32)31(18)20-16-8-25-29-19(16)27-21(28-20)26-13(3)17-9-30(11-24-17)15-6-4-14(23)5-7-15/h4-9,11-13,18H,10H2,1-3H3,(H2,25,26,27,28,29)/t13-,18+/m0/s1
InChIKeyMCODHMMAABYTBR-SCLBCKFNSA-N
MW466.93 g/mol
LogP4.35
Rot. Bonds6

About (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130356771) has the molecular formula C22H23ClN8O2 and a molecular weight of 466.93 g/mol. Its IUPAC name is (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID130356771
Molecular FormulaC22H23ClN8O2
Molecular Weight466.93 g/mol
Exact Mass466.16
IUPAC Name(4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(-c3ccc(Cl)cc3)cn2)nc2[nH]ncc12
InChIInChI=1S/C22H23ClN8O2/c1-12(2)18-10-33-22(32)31(18)20-16-8-25-29-19(16)27-21(28-20)26-13(3)17-9-30(11-24-17)15-6-4-14(23)5-7-15/h4-9,11-13,18H,10H2,1-3H3,(H2,25,26,27,28,29)/t13-,18+/m0/s1
InChIKeyMCODHMMAABYTBR-SCLBCKFNSA-N
XLogP4.35
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
CID 130356772
(4S)-3-[4-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960817
(4S)-3-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 154591504
(4S)-3-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-cyclopropyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 152895550
3-[2-[[(1S)-1-[1-(3-chloro-4-fluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 90415024
(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 137440064
(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
(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154591596
4-(1,1-difluoropropan-2-yl)-3-[2-[[(1S)-1-[1-(4-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90414511
7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
CID 154975046
3-[6-chloro-2-[[(1S)-1-[1-(4-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 130384663
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one
CID 137439990

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 130356771) is (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(-c3ccc(Cl)cc3)cn2)nc2[nH]ncc12.
What is the InChIKey of (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MCODHMMAABYTBR-SCLBCKFNSA-N. The full InChI is InChI=1S/C22H23ClN8O2/c1-12(2)18-10-33-22(32)31(18)20-16-8-25-29-19(16)27-21(28-20)26-13(3)17-9-30(11-24-17)15-6-4-14(23)5-7-15/h4-9,11-13,18H,10H2,1-3H3,(H2,25,26,27,28,29)/t13-,18+/m0/s1.
What are the key properties of (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 466.93 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130356771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).