(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one

C26H24N8O2 — CID 170379695

IUPAC(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
SMILESC[C@H](Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4=O)on3)n2)n1)c1ccn2ccnc2c1
InChIInChI=1S/C26H24N8O2/c1-16(17-7-12-34-13-10-27-24(34)14-17)29-26-28-9-6-21(31-26)19-4-3-5-20(30-19)22-15-23(36-32-22)18-8-11-33(2)25(18)35/h3-7,9-10,12-16,18H,8,11H2,1-2H3,(H,28,29,31)/t16-,18-/m0/s1
InChIKeyGJBRLBNXZVUFPT-WMZOPIPTSA-N
MW480.53 g/mol
LogP3.96
Rot. Bonds6

About (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one

(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (PubChem CID 170379695) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
PubChem CID170379695
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
SMILESC[C@H](Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4=O)on3)n2)n1)c1ccn2ccnc2c1
InChIInChI=1S/C26H24N8O2/c1-16(17-7-12-34-13-10-27-24(34)14-17)29-26-28-9-6-21(31-26)19-4-3-5-20(30-19)22-15-23(36-32-22)18-8-11-33(2)25(18)35/h3-7,9-10,12-16,18H,8,11H2,1-2H3,(H,28,29,31)/t16-,18-/m0/s1
InChIKeyGJBRLBNXZVUFPT-WMZOPIPTSA-N
XLogP3.96
TPSA114.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (CID 170379695) is (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is C[C@H](Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4=O)on3)n2)n1)c1ccn2ccnc2c1.
What is the InChIKey of (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The InChIKey is GJBRLBNXZVUFPT-WMZOPIPTSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-16(17-7-12-34-13-10-27-24(34)14-17)29-26-28-9-6-21(31-26)19-4-3-5-20(30-19)22-15-23(36-32-22)18-8-11-33(2)25(18)35/h3-7,9-10,12-16,18H,8,11H2,1-2H3,(H,28,29,31)/t16-,18-/m0/s1.
What are the key properties of (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one has a molecular weight of 480.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170379695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).