(4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C19H22N6O2 — CID 89489827

IUPAC(4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H22N6O2/c1-11(2)15-10-27-19(26)25(15)16-5-7-21-18(24-16)23-12(3)14-8-13-4-6-20-17(13)22-9-14/h4-9,11-12,15H,10H2,1-3H3,(H,20,22)(H,21,23,24)/t12?,15-/m1/s1
InChIKeyMHOMYGMYJSCKJN-WPZCJLIBSA-N
MW366.43 g/mol
LogP3.51
Rot. Bonds5

About (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 89489827) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID89489827
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name(4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H22N6O2/c1-11(2)15-10-27-19(26)25(15)16-5-7-21-18(24-16)23-12(3)14-8-13-4-6-20-17(13)22-9-14/h4-9,11-12,15H,10H2,1-3H3,(H,20,22)(H,21,23,24)/t12?,15-/m1/s1
InChIKeyMHOMYGMYJSCKJN-WPZCJLIBSA-N
XLogP3.51
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 89489827) is (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1cnc2[nH]ccc2c1.
What is the InChIKey of (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is MHOMYGMYJSCKJN-WPZCJLIBSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11(2)15-10-27-19(26)25(15)16-5-7-21-18(24-16)23-12(3)14-8-13-4-6-20-17(13)22-9-14/h4-9,11-12,15H,10H2,1-3H3,(H,20,22)(H,21,23,24)/t12?,15-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 366.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[2-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).